data_2ayz_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 2ayz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.444 ' HE1' ' HA ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.24 0.543 . . . . 2.4 111.425 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.659 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 11.9 ttm -88.1 108.33 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.777 -0.647 . . . . 2.38 109.948 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.883 ' HB ' HD21 ' A' ' 844' ' ' LEU . 4.5 mm -107.12 143.65 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.157 0.503 . . . . 1.17 111.2 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.625 HD22 HG11 ' A' ' 872' ' ' VAL . 60.9 tp -101.6 116.87 33.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 1.99 110.575 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -107.8 108.5 25.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.735 0.779 . . . . 1.67 109.929 179.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.693 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.3 t -116.57 137.1 51.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.336 -0.847 . . . . 1.56 109.594 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 3.6 t70 -148.24 147.48 29.42 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.657 -0.417 . . . . 1.3 110.902 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -94.73 -3.55 49.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 2.03 110.473 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -117.4 125.49 28.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.814 -0.63 . . . . 2.8 110.261 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 -39.21 76.75 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.518 2.145 . . . . 1.39 112.87 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.72 -39.74 76.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.015 0.436 . . . . 2.71 110.055 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 2.2 t30 -71.02 -41.01 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 2.24 109.948 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 837' ' ' ARG . 3.9 ttm-85 -56.6 -47.63 79.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 3.21 110.878 177.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.522 ' C ' ' HD3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -54.89 -50.87 67.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.665 -0.698 . . . . 3.24 110.772 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.97 65.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.429 -0.805 . . . . 1.72 111.299 -172.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 829' ' ' VAL . 59.4 tp -67.15 -43.03 83.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 1.99 110.211 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.26 -35.19 73.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 1.25 110.807 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.14 -47.34 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 1.34 110.115 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.877 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.47 -43.49 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 2.07 110.477 179.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.883 HD21 ' HB ' ' A' ' 827' ' ' ILE . 10.7 tp -63.54 -37.73 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.749 -0.66 . . . . 1.81 111.133 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.07 -40.55 99.37 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.987 -0.625 . . . . 0.56 112.419 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 25.0 m -76.69 -19.52 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.82 0.343 . . . . 1.03 110.979 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -69.2 -34.77 75.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.461 0.648 . . . . 2.14 109.438 171.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 100.9 22.55 10.75 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.266 -0.879 . . . . 0.62 112.101 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -110.36 151.48 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.544 0.211 . . . . 1.67 110.528 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.659 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -61.33 124.79 21.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 2.92 110.342 176.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 106.3 16.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.267 -0.424 . . . . 1.39 110.932 -177.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.13 110.27 22.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.365 -0.606 . . . . 1.95 109.365 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.03 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.004 0.43 . . . . 1.24 111.742 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.42 ' HB1' HG11 ' A' ' 830' ' ' VAL . . . -141.83 168.58 19.42 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.971 -0.558 . . . . 1.15 110.72 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.2 t30 -144.3 72.45 1.34 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.704 -0.226 . . . . 2.4 110.883 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.673 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.8 t0 161.03 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.228 0.955 . . . . 1.45 109.828 171.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.43 78.46 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.219 -0.991 . . . . 0.66 110.882 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -68.78 -30.64 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 1.55 110.753 178.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.52 -32.27 73.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.84 110.868 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.438 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -57.92 -53.68 55.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 1.2 111.19 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.597 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -73.79 -27.68 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 2.43 110.944 -178.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.06 -48.35 79.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.435 0.636 . . . . 2.14 109.47 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.03 -35.15 72.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.203 -0.908 . . . . 1.53 110.249 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.88 -31.73 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 2.23 111.182 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 14.6 m -78.2 -27.06 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.25 -0.432 . . . . 0.97 110.72 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 4.7 mmmt -84.21 -37.01 22.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 3.88 111.176 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 157.1 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.299 -0.41 . . . . 1.86 110.194 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 137.73 34.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.988 0.423 . . . . 3.83 111.266 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.564 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -134.21 153.99 36.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.33 -0.396 . . . . 1.62 110.417 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.683 ' HA ' HH21 ' A' ' 947' ' ' ARG . 8.2 t0 -95.18 -57.19 2.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 1.64 110.957 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.756 HD12 ' HB3' ' A' ' 939' ' ' TYR . 17.8 mm -113.45 130.37 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.084 -0.507 . . . . 1.68 110.65 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.625 HG11 HD22 ' A' ' 828' ' ' LEU . 38.9 t -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.12 -0.232 . . . . 1.3 110.724 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 4.1 mt -123.32 99.87 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.963 -0.384 . . . . 1.46 109.963 173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.693 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 11.3 p -111.29 110.44 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.014 -0.275 . . . . 1.37 110.383 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.492 ' OD2' ' HA ' ' A' ' 925' ' ' LYS . 18.4 t0 -95.91 117.78 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.181 0.515 . . . . 1.34 111.058 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 1.82 110.28 179.758 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.878 ' HB2' ' HG3' ' A' ' 912' ' ' GLN . 9.2 t80 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 122.251 1.024 . . . . 3.02 109.223 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.532 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.8 tmm_? -63.44 -29.32 70.62 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.946 -1.025 . . . . 3.74 111.428 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -22.3 66.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.304 1.05 . . . . 2.82 109.547 -173.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.89 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -85.23 -28.32 25.47 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.724 -1.58 . . . . 1.55 107.707 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.557 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -62.96 -47.97 80.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 2.4 110.002 169.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.92 76.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.291 -0.413 . . . . 2.86 111.38 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.61 HG23 HG22 ' A' ' 899' ' ' VAL . 2.0 mt -67.37 -42.88 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.499 -0.319 . . . . 2.15 110.582 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.436 HH11 ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -70.86 -23.51 62.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.124 0.487 . . . . 2.75 110.526 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -72.97 -38.25 66.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.047 -0.524 . . . . 3.05 110.155 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -31.92 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 2.43 110.174 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 103.99 84.68 1.8 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.925 -0.655 . . . . 1.12 111.623 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 895' ' ' LEU . 0.6 OUTLIER -75.2 121.99 22.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.401 0.619 . . . . 3.34 111.108 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.56 24.16 11.51 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.5 -0.773 . . . . 2.85 109.136 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.32 155.4 31.72 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 114.592 -1.185 . . . . 1.91 109.258 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 126.05 11.28 Favored 'Trans proline' 0 C--O 1.242 0.724 0 C-N-CA 122.441 2.094 . . . . 1.09 113.424 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.717 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -101.54 105.64 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 121.371 0.605 . . . . 1.31 110.099 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.817 HG22 HD13 ' A' ' 923' ' ' LEU . 5.5 mt -92.84 108.28 20.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.328 0.585 . . . . 1.28 109.952 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.35 99.68 2.58 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.477 -0.783 . . . . 0.51 112.055 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -76.77 127.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 108.383 -0.969 . . . . 1.64 108.383 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.811 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 2.4 p -140.39 155.36 46.78 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.632 -0.427 . . . . 1.35 111.801 -169.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.4 104.53 4.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 1.59 111.229 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 55.47 55.8 6.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.708 -0.678 . . . . 3.03 112.326 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.87 ' HB1' ' HG3' ' A' ' 909' ' ' GLU . . . -98.55 42.32 1.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.967 0.413 . . . . 2.81 110.152 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.89 -71.04 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.171 -0.922 . . . . 4.33 110.815 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -143.66 78.22 1.58 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.211 -0.663 . . . . 2.52 109.211 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.87 ' HG3' ' HB1' ' A' ' 906' ' ' ALA . 13.5 mp0 -58.15 -45.84 86.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.669 -0.696 . . . . 3.31 111.619 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.24 -39.61 75.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 3.58 110.562 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -65.4 -35.02 79.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.818 -0.628 . . . . 2.7 110.706 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.878 ' HG3' ' HB2' ' A' ' 884' ' ' TYR . 0.7 OUTLIER -68.57 -39.11 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.276 0.56 . . . . 3.07 109.75 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.482 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 5.2 ttt180 -62.26 -39.74 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.409 -0.814 . . . . 4.72 110.46 177.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.33 -38.64 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 2.18 111.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.19 -52.24 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.098 0.475 . . . . 2.39 111.326 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.89 ' HB2' HG22 ' A' ' 887' ' ' THR . 4.3 mm-40 -78.2 -22.17 48.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.663 -0.699 . . . . 3.47 110.872 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 917' ' ' SER . . . . . 0.436 ' HB2' HH11 ' A' ' 891' ' ' ARG . 1.5 m 52.43 51.87 15.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.961 1.097 . . . . 1.35 113.961 171.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.645 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -148.02 27.07 1.43 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.409 -0.901 . . . . 1.02 113.487 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.717 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.3 ttm -106.98 -119.95 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.336 0.568 . . . . 2.46 111.21 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.531 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.3 t70 171.03 -52.14 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 123.861 0.865 . . . . 1.26 108.857 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.17 170.14 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.515 -0.766 . . . . 1.26 110.369 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.482 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 70.1 m -131.58 135.53 47.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.642 -0.254 . . . . 2.14 110.501 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.817 HD13 HG22 ' A' ' 900' ' ' ILE . 62.2 mt -124.94 -175.27 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.574 -0.284 . . . . 1.28 110.587 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.466 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.95 153.53 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 1.11 110.042 178.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.492 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 1.2 tptp -49.89 -48.17 78.56 Favored Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 113.788 1.033 . . . . 1.69 113.788 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 11.9 Cg_exo -72.78 65.91 3.95 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.067 1.845 . . . . 1.33 113.599 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.504 ' H ' HG22 ' A' ' 927' ' ' VAL . 0.1 OUTLIER -77.4 99.43 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 1.94 110.303 173.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.8 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.311 -0.404 . . . . 1.48 111.384 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.877 HD22 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -58.44 -46.31 86.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.737 0.303 . . . . 1.47 111.133 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.23 -46.42 73.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.35 -0.386 . . . . 1.85 110.719 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.14 -44.86 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.973 -0.558 . . . . 1.51 110.338 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.729 HG22 HD21 ' A' ' 936' ' ' LEU . 0.5 OUTLIER -61.68 -38.95 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 1.69 110.551 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.45 76.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.204 -0.453 . . . . 2.36 112.015 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -38.22 78.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 2.76 110.854 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.1 m -65.8 -44.53 85.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.238 . . . . 1.23 111.01 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.62 -41.28 92.88 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.436 -0.347 . . . . 1.41 110.792 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 80.7 m -65.94 -47.29 75.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.317 -0.402 . . . . 1.41 111.015 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.157 0.503 . . . . 1.99 110.884 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.756 ' HB3' HD12 ' A' ' 871' ' ' ILE . 4.0 m-85 -76.68 -25.55 53.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.143 -0.481 . . . . 1.99 111.724 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 936' ' ' LEU . . . -64.31 -39.04 93.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.278 0.561 . . . . 1.22 110.322 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.07 -34.87 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.643 . . . . 1.87 109.926 176.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.497 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -67.15 -48.45 68.0 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.152 -0.476 . . . . 3.6 110.638 -178.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.98 -29.33 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 120.855 0.36 . . . . 1.3 110.423 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.37 -34.59 76.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.487 -0.324 . . . . 4.16 110.193 174.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -34.94 33.19 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.92 0.39 . . . . 3.22 110.953 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 3.8 m -75.6 -25.9 57.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.38 0.511 . . . . 1.34 112.38 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.683 HH21 ' HA ' ' A' ' 870' ' ' ASP . 74.1 mtt-85 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 4.07 111.305 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.911 -0.403 . . . . 2.4 109.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.479 ' O ' HG21 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -98.62 113.31 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.035 0.445 . . . . 2.38 110.147 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.764 ' HB ' HD23 ' A' ' 844' ' ' LEU . 1.3 mm -110.7 137.82 41.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.469 -0.787 . . . . 1.17 109.751 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.429 HD13 HG12 ' A' ' 863' ' ' VAL . 0.5 OUTLIER -94.79 118.45 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.388 -0.369 . . . . 1.99 110.773 -177.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 853' ' ' THR . 2.0 m -101.72 94.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.169 -0.678 . . . . 1.67 109.169 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 856' ' ' ASP . 0.0 OUTLIER -110.24 84.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 1.56 110.511 -174.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.695 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -106.27 154.97 19.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.508 -0.314 . . . . 1.3 111.105 -171.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . 0.445 ' HA ' ' ND2' ' A' ' 855' ' ' ASN . 2.1 p-10 -93.28 -18.24 22.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.853 0.686 . . . . 2.03 112.853 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 32.4 m-70 -127.18 107.96 21.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.275 -0.266 . . . . 2.8 110.532 -177.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.8 Cg_endo -40.31 -39.07 2.52 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 124.879 3.719 . . . . 1.39 115.375 -167.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -33.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 120.939 0.4 . . . . 2.71 111.432 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -83.55 -22.56 32.35 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.874 -0.33 . . . . 2.24 110.56 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.413 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 4.1 ttm180 -61.42 -50.53 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 3.21 110.017 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -32.02 71.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 3.24 111.352 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -39.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.72 111.232 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 54.1 tp -66.59 -41.13 88.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 1.99 109.813 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.76 62.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.608 . . . . 1.25 110.921 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -68.47 -48.76 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 1.34 110.271 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.537 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.5 OUTLIER -64.32 -35.15 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 2.07 110.096 177.325 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.764 HD23 ' HB ' ' A' ' 827' ' ' ILE . 5.2 tp -63.25 -43.42 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 1.81 110.487 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.61 -27.82 73.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.56 111.855 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.1 m -68.44 -28.38 67.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 1.03 110.075 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.821 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -81.75 -15.56 53.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.713 -0.676 . . . . 2.14 110.469 175.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.89 70.14 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.851 -0.613 . . . . 0.62 111.819 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . 0.45 ' HD2' HD11 ' A' ' 827' ' ' ILE . 3.7 m-85 -99.58 143.43 29.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 1.67 110.664 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.07 132.82 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 2.92 111.284 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.568 ' HB3' HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -115.76 107.96 15.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 1.39 111.192 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -93.39 119.21 32.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.105 -0.702 . . . . 1.95 109.105 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.607 ' HA ' HG22 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -91.12 136.22 33.23 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.771 0.656 . . . . 1.24 112.771 -168.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.462 ' HB1' HG11 ' A' ' 830' ' ' VAL . . . -158.3 175.48 13.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.832 -0.622 . . . . 1.15 109.806 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.1 t-20 -147.23 74.65 1.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.665 -0.414 . . . . 2.4 111.691 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.669 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.1 t70 160.58 164.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.344 1.058 . . . . 1.45 109.798 166.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.671 ' HA3' ' HB3' ' A' ' 886' ' ' LEU . . . -74.02 -42.72 36.1 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.411 -0.899 . . . . 0.66 110.916 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.64 -29.13 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.082 0.468 . . . . 1.55 110.341 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 32.1 t0 -62.68 -40.74 98.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.913 -0.585 . . . . 0.84 109.678 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -33.94 77.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 1.2 110.354 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.557 HD11 HG12 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -62.76 -43.28 99.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 2.43 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -69.26 -49.8 52.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 2.14 111.066 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.429 HG12 HD13 ' A' ' 828' ' ' LEU . 8.2 p -64.22 -32.47 57.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.525 -0.307 . . . . 1.53 110.759 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 2.4 mt -66.0 -32.35 73.79 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.296 0.57 . . . . 2.23 110.426 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 48.7 m -76.3 -21.81 55.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.826 -0.625 . . . . 0.97 110.602 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -36.61 20.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 3.88 110.682 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 137.44 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.727 -0.842 . . . . 1.86 108.727 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.41 84.2 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.023 0.44 . . . . 3.83 111.883 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 826' ' ' MET . 2.7 mp -61.01 139.54 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.753 . . . . 1.62 109.409 170.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 0.2 OUTLIER -87.63 -30.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -170.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.448 HD13 HG22 ' A' ' 943' ' ' VAL . 9.0 mt -134.19 129.98 54.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.107 -0.331 . . . . 1.68 110.107 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 897' ' ' LEU . 37.0 t -112.88 131.75 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.923 -0.311 . . . . 1.3 111.541 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -117.92 99.64 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 1.46 110.112 174.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 p -90.04 103.08 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.931 0.396 . . . . 1.37 110.264 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.695 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 60.9 t0 -93.72 118.08 30.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.753 -0.658 . . . . 1.34 110.435 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 1.82 111.338 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.737 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.7 p90 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.867 0.841 . . . . 3.02 110.602 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.652 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.63 -27.13 62.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.459 -0.792 . . . . 3.74 111.475 -168.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.671 ' HB3' ' HA3' ' A' ' 857' ' ' GLY . 0.1 OUTLIER -73.25 -27.57 61.66 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.16 -1.052 . . . . 2.82 108.16 -170.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 11.4 m -78.0 -28.26 49.21 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 113.68 -1.6 . . . . 1.55 109.906 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.43 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 37.6 tt0 -61.68 -41.4 97.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.679 -0.691 . . . . 2.4 109.753 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -37.52 80.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 2.86 110.648 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.557 HG12 HD11 ' A' ' 861' ' ' LEU . 0.4 OUTLIER -64.3 -35.24 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.795 0.331 . . . . 2.15 110.747 178.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -69.16 -39.09 79.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 2.75 110.057 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.14 -37.6 87.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.38 0.609 . . . . 3.05 109.99 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.22 -23.84 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.384 -0.825 . . . . 2.43 111.254 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.47 73.96 1.26 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.905 -0.664 . . . . 1.12 111.885 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 918' ' ' GLY . 0.6 OUTLIER -69.14 133.83 48.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 3.34 111.209 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.8 27.42 8.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.953 -0.567 . . . . 2.85 110.092 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.509 HD12 HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -153.86 153.25 28.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 1.91 109.648 -177.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 16.5 Cg_exo -67.94 133.88 30.44 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 122.799 2.332 . . . . 1.09 112.836 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.846 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 42.7 t -110.07 125.15 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 1.31 110.491 177.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.694 ' HB ' HD23 ' A' ' 873' ' ' LEU . 3.8 mt -112.38 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.013 -0.54 . . . . 1.28 110.015 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.35 124.24 7.39 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.648 -0.787 . . . . 0.51 112.105 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.0 t -97.03 96.41 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.195 -0.669 . . . . 1.64 109.195 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.584 ' O ' ' HA ' ' A' ' 924' ' ' SER . 2.5 p -116.97 171.78 7.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.087 0.47 . . . . 1.35 111.611 -172.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -144.33 102.53 3.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 1.59 110.434 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 48.01 65.17 1.37 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.029 0.831 . . . . 3.03 112.115 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -83.66 49.24 1.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.123 -0.489 . . . . 2.81 110.577 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.1 -74.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.447 -0.797 . . . . 4.33 111.012 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.42 75.7 1.47 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.407 -0.59 . . . . 2.52 109.407 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.42 -25.86 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 3.31 111.59 -174.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.68 -44.65 96.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.239 0.542 . . . . 3.58 110.153 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.498 ' HD3' HD13 ' A' ' 915' ' ' LEU . 0.0 OUTLIER -70.03 -40.11 75.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.633 -0.712 . . . . 2.7 110.525 -178.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.6 OUTLIER -74.0 -28.72 61.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.791 -0.364 . . . . 3.07 110.744 -177.152 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.743 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.84 -36.43 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.28 0.562 . . . . 4.72 110.078 174.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 13.5 m -73.69 -26.43 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.938 -0.573 . . . . 2.18 110.327 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.677 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -71.64 -51.74 21.56 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.796 -0.638 . . . . 2.39 112.02 -177.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.743 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -77.57 -42.51 34.98 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.216 -0.594 . . . . 3.47 110.648 179.138 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.67 49.99 19.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.79 0.663 . . . . 1.35 112.79 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 895' ' ' LEU . . . -147.26 10.98 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.002 -1.094 . . . . 1.02 112.529 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.846 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.4 ttm -87.65 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.259 . . . . 2.46 111.092 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.573 ' HB2' ' O ' ' A' ' 919' ' ' MET . 25.8 t0 165.74 -52.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.154 0.982 . . . . 1.26 109.109 173.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 921' ' ' SER . . . . . 0.662 ' HG ' ' HH ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -136.24 157.62 46.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 1.26 110.853 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.32 142.0 48.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.352 -0.385 . . . . 2.14 110.445 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.3 -175.36 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 1.28 109.938 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.7 m -105.79 149.63 26.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.432 -0.349 . . . . 1.11 110.112 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.572 ' HZ3' ' CG ' ' A' ' 875' ' ' ASP . 2.1 tptt -44.04 -53.02 14.21 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 113.318 0.859 . . . . 1.69 113.318 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 72.1 Cg_endo -77.53 65.35 8.07 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.563 1.509 . . . . 1.33 112.499 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -65.73 117.32 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 1.94 110.439 177.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 170.28 14.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 1.48 110.774 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.537 HD22 ' HG3' ' A' ' 843' ' ' GLN . 0.8 OUTLIER -58.61 -46.29 87.35 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.791 0.293 . . . . 1.47 111.791 -175.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.45 -44.23 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.815 0.341 . . . . 1.85 110.665 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.16 -47.26 90.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 1.51 110.75 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.1 tt -64.37 -32.8 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.69 110.996 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.519 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.77 -35.31 78.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.739 0.304 . . . . 2.36 110.608 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.1 OUTLIER -63.68 -54.78 30.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 2.76 110.439 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -41.31 95.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.23 111.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.821 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.09 -57.51 12.53 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.957 -0.565 . . . . 1.41 111.062 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 21.5 m -62.75 -41.94 99.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.24 -0.436 . . . . 1.41 111.398 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -63.23 -42.07 99.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 1.99 111.436 -178.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.662 ' HH ' ' HG ' ' A' ' 921' ' ' SER . 3.1 m-30 -84.85 -25.9 27.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.933 -0.307 . . . . 1.99 111.54 -175.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -65.23 -40.33 93.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 1.22 109.903 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.11 71.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.924 -0.58 . . . . 1.87 109.694 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -48.51 80.54 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 3.6 111.047 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 871' ' ' ILE . 17.6 m -75.49 -34.7 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.632 -0.258 . . . . 1.3 110.972 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -65.15 -45.12 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 4.16 111.304 -178.181 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -29.76 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 3.22 111.853 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 35.9 m -75.4 -38.71 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.547 -0.461 . . . . 1.34 110.417 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 5.3 ttt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 4.07 109.865 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.805 0.336 . . . . 2.4 110.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.644 ' HB2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.31 113.09 25.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 2.38 110.593 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 38.5 mm -104.89 132.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.665 -0.698 . . . . 1.17 110.223 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.718 HD12 HG12 ' A' ' 863' ' ' VAL . 12.9 tp -96.61 104.52 16.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.931 0.396 . . . . 1.99 110.374 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.65 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 15.5 m -93.4 100.23 10.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.63 0.729 . . . . 1.67 110.399 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.38 125.93 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.629 . . . . 1.56 110.153 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.576 ' HB3' ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -148.03 142.84 26.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 117.967 0.349 . . . . 1.3 111.216 175.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -78.04 -14.06 59.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.815 0.672 . . . . 2.03 112.815 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -119.35 83.49 26.18 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.992 -0.373 . . . . 2.8 109.992 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -35.03 -39.76 0.22 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 125.167 3.911 . . . . 1.39 116.396 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.7 OUTLIER -57.81 -31.41 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 121.086 0.47 . . . . 2.71 111.397 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -73.77 -41.62 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.959 -0.564 . . . . 2.24 110.267 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 1.032 ' HA ' ' HE ' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -64.45 -33.68 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.922 -0.311 . . . . 3.21 111.138 176.202 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.604 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.29 -50.7 72.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.519 0.676 . . . . 3.24 109.851 173.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.604 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.61 -40.23 76.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.155 -0.929 . . . . 1.72 110.964 -173.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -30.32 69.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.974 -0.557 . . . . 1.99 110.731 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -72.14 -24.76 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 1.25 110.287 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -47.13 71.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.369 -0.604 . . . . 1.34 109.369 173.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.03 95.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.517 -0.765 . . . . 2.07 110.459 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -37.03 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.81 110.472 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.44 -31.11 79.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.452 -0.794 . . . . 0.56 112.308 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -16.54 56.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 1.03 110.481 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.485 HD11 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -79.51 -41.39 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.14 110.121 176.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.96 35.6 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.62 112.315 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -123.77 152.98 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 1.67 110.254 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.44 126.55 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 2.92 109.958 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 111.76 22.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.83 0.348 . . . . 1.39 111.085 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.552 ' O ' HG21 ' A' ' 829' ' ' VAL . 0.7 OUTLIER -98.54 120.21 38.59 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.342 -0.614 . . . . 1.95 109.342 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.61 140.04 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 1.24 112.066 -170.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -157.16 171.06 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.675 -0.693 . . . . 1.15 109.407 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.8 73.09 0.87 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.089 -0.645 . . . . 2.4 112.315 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.67 ' OD2' HG21 ' A' ' 858' ' ' VAL . 14.0 t70 162.91 156.76 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.227 0.954 . . . . 1.45 109.657 172.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -62.74 -52.55 47.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.966 -0.635 . . . . 0.66 112.118 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.67 HG21 ' OD2' ' A' ' 856' ' ' ASP . 1.5 m -74.06 -29.67 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 122.759 -0.26 . . . . 1.55 111.018 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.612 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 25.8 t0 -57.53 -33.29 67.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.429 -0.351 . . . . 0.84 110.509 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -62.05 -38.4 88.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 1.2 110.676 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -72.88 -33.38 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 2.43 110.194 177.763 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.69 -50.59 68.62 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.505 -0.771 . . . . 2.14 110.534 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.718 HG12 HD12 ' A' ' 828' ' ' LEU . 4.3 p -68.65 -32.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 1.53 110.219 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.604 ' HG ' HD21 ' A' ' 895' ' ' LEU . 0.3 OUTLIER -58.95 -38.93 80.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.098 0.475 . . . . 2.23 110.659 175.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 17.9 m -65.58 -37.6 87.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.97 110.604 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -73.82 -41.52 62.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 3.88 111.417 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.99 118.73 8.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 1.86 110.235 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 144.92 53.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.136 0.494 . . . . 3.83 110.66 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.704 HG23 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -132.63 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.311 -0.626 . . . . 1.62 109.311 -179.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.39 -60.69 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.462 . . . . 1.64 111.103 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.434 HG23 HD11 ' A' ' 900' ' ' ILE . 13.7 mt -121.0 132.12 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 1.68 110.674 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.2 138.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 1.3 110.025 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 106.89 9.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.985 -0.376 . . . . 1.46 109.985 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.0 p -91.68 99.61 12.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 1.37 110.597 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.514 ' HB2' ' NH1' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.272 -0.876 . . . . 1.34 109.946 179.244 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 1.82 112.023 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.669 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.912 0 N-CA-C 114.482 1.29 . . . . 3.02 114.482 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.651 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.1 -25.46 68.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.204 -1.362 . . . . 3.74 112.505 -167.039 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -29.85 70.42 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.303 -0.999 . . . . 2.82 108.303 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -69.93 -41.15 75.0 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.596 -1.183 . . . . 1.55 108.517 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.6 tp-100 -57.07 -45.09 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.866 -1.061 . . . . 2.4 110.725 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -37.34 73.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 2.86 110.888 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.634 HG13 HD21 ' A' ' 861' ' ' LEU . 6.2 mt -57.57 -47.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 2.15 110.538 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.04 68.99 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.258 -0.428 . . . . 2.75 111.277 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 59.5 mt-30 -74.88 -37.36 62.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.088 0.47 . . . . 3.05 110.82 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 861' ' ' LEU . 6.6 tp -76.41 -4.37 42.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 2.43 110.711 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 1.12 113.406 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.604 HD21 ' HG ' ' A' ' 864' ' ' LEU . 4.0 mp -90.44 110.44 21.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.991 0.424 . . . . 3.34 109.944 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 7.5 t -99.86 -3.8 31.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.499 0.666 . . . . 2.85 109.66 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 895' ' ' LEU . 0.2 OUTLIER -75.75 151.46 84.65 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.233 -0.894 . . . . 1.91 109.661 178.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.1 119.6 6.95 Favored 'Trans proline' 0 C--O 1.241 0.65 0 C-N-CA 123.037 2.491 . . . . 1.09 113.328 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.841 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.7 t -106.04 109.12 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.356 0.598 . . . . 1.31 110.281 175.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.487 ' CG2' HD13 ' A' ' 923' ' ' LEU . 40.8 mt -84.57 113.74 23.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.817 -0.629 . . . . 1.28 110.262 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.418 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -89.05 91.74 1.75 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.69 -0.767 . . . . 0.51 112.217 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -83.61 98.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.102 -0.703 . . . . 1.64 109.102 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 52.0 p -121.5 -174.75 2.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.579 0.704 . . . . 1.35 112.392 -168.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -138.66 160.09 40.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.822 -1.081 . . . . 1.59 108.234 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.32 100.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 3.03 111.83 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -134.81 86.23 2.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 2.81 109.156 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.55 -86.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 4.33 110.086 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.77 71.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 2.52 110.254 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 3.31 111.367 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.21 -40.64 90.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.992 0.425 . . . . 3.58 110.355 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.02 -38.94 86.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 2.7 110.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 884' ' ' TYR . 1.8 mp0 -69.86 -32.02 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.229 0.537 . . . . 3.07 109.926 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.7 ' HG3' ' HB2' ' A' ' 919' ' ' MET . 14.1 ttp85 -64.12 -31.31 72.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.429 -0.805 . . . . 4.72 110.131 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.56 -43.99 36.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 2.18 110.945 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -52.66 20.92 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 111.873 0.323 . . . . 2.39 111.873 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.669 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 13.1 mm-40 -78.38 -23.11 46.97 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.647 0.379 . . . . 3.47 111.561 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.52 54.41 10.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.443 1.275 . . . . 1.35 114.443 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.686 ' H ' HG23 ' A' ' 887' ' ' THR . . . -132.58 26.75 3.62 Favored Glycine 0 C--O 1.222 -0.611 0 C-N-CA 119.957 -1.116 . . . . 1.02 113.741 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.841 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.8 mtt -117.63 -126.11 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 118.131 0.965 . . . . 2.46 112.057 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 919' ' ' MET . 23.9 t0 170.58 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.249 1.02 . . . . 1.26 108.738 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 921' ' ' SER . . . . . 0.739 ' HG ' ' HH ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -132.04 173.81 10.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.725 . . . . 1.26 110.822 178.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.446 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 97.1 m -145.85 120.68 9.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.732 -0.47 . . . . 2.14 109.732 176.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.528 HD12 HG23 ' A' ' 935' ' ' THR . 20.4 mt -125.93 -174.86 3.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.588 -0.278 . . . . 1.28 110.275 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -97.57 143.37 28.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.178 -0.464 . . . . 1.11 110.056 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.484 ' O ' HG21 ' A' ' 927' ' ' VAL . 0.2 OUTLIER -48.39 -44.53 64.75 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.829 0.677 . . . . 1.69 112.829 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 57.1 Cg_endo -71.14 64.12 2.64 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.694 1.596 . . . . 1.33 112.663 175.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -74.13 84.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.94 110.608 175.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 169.01 16.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.846 -0.616 . . . . 1.48 110.643 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 929' ' ' LEU . 0.5 OUTLIER -54.24 -38.49 65.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.698 0.285 . . . . 1.47 111.249 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.87 -61.42 2.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 1.85 111.548 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.48 -29.52 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.184 -0.462 . . . . 1.51 111.489 -176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.508 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -69.09 -35.52 69.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.57 -0.286 . . . . 1.69 110.567 179.165 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -40.29 78.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.597 0.237 . . . . 2.36 110.477 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -58.35 -57.27 13.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.024 -0.535 . . . . 2.76 110.582 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 935' ' ' THR . . . . . 0.528 HG23 HD12 ' A' ' 923' ' ' LEU . 1.1 m -63.28 -41.57 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.757 -0.656 . . . . 1.23 112.113 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.6 OUTLIER -66.12 -46.52 77.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.886 -0.143 . . . . 1.41 111.153 -177.45 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 26.8 m -66.66 -42.58 86.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.686 0.279 . . . . 1.41 111.034 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -40.64 97.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.129 0.49 . . . . 1.99 110.817 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.739 ' HH ' ' HG ' ' A' ' 921' ' ' SER . 1.9 m-85 -75.24 -38.06 60.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.348 -0.387 . . . . 1.99 111.302 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.02 73.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.912 0.386 . . . . 1.22 110.262 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -67.9 -44.81 76.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.025 -0.534 . . . . 1.87 110.683 178.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -72.98 -35.55 66.9 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.639 -0.424 . . . . 3.6 111.46 -176.087 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 34.6 m -72.28 -30.28 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 1.3 110.31 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -75.16 -26.8 59.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 4.16 110.123 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -71.54 -46.81 58.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 3.22 109.912 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 28.0 m -63.37 -36.39 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.34 110.434 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 4.07 110.468 177.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.249 -0.649 . . . . 2.4 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.908 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -91.45 110.44 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.221 -0.9 . . . . 2.38 111.049 -174.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.699 ' HB ' HD23 ' A' ' 844' ' ' LEU . 4.4 mm -98.76 128.03 50.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.857 -0.61 . . . . 1.17 109.615 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.563 ' HB2' HG12 ' A' ' 869' ' ' ILE . 19.8 tp -94.44 103.8 15.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 1.99 110.116 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.775 HG11 HD21 ' A' ' 844' ' ' LEU . 2.2 m -92.71 101.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.744 0.783 . . . . 1.67 110.349 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 875' ' ' ASP . 2.7 t -101.36 139.08 23.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.222 -0.899 . . . . 1.56 110.13 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.648 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 8.6 t70 -153.44 134.01 13.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.665 -0.494 . . . . 1.3 109.665 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.18 -35.18 71.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.865 -0.607 . . . . 2.03 111.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 0.5 OUTLIER -120.32 130.58 24.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.472 . . . . 2.8 111.799 -174.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 72.0 Cg_exo -50.53 -35.56 46.47 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.144 3.229 . . . . 1.39 114.981 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 836' ' ' ASN . 2.9 tp -62.02 -47.83 91.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 121.134 0.492 . . . . 2.71 111.41 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.648 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.7 OUTLIER -78.78 -29.09 44.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.504 -0.554 . . . . 2.24 109.504 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -54.01 -51.11 65.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.863 -0.608 . . . . 3.21 111.0 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.07 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 3.24 110.767 -178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 838' ' ' ARG . 0.3 OUTLIER -66.92 -53.13 35.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.72 111.009 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' A' ' 829' ' ' VAL . 0.1 OUTLIER -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 1.99 110.719 -178.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.34 68.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 1.25 111.011 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -36.83 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.34 110.097 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.58 -43.36 93.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.748 -0.66 . . . . 2.07 109.783 173.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.775 HD21 HG11 ' A' ' 829' ' ' VAL . 49.9 tp -65.47 -32.87 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.678 -0.692 . . . . 1.81 110.508 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.22 92.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.028 -0.606 . . . . 0.56 111.688 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 15.1 m -74.46 -21.7 59.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 1.03 110.844 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.659 HD11 HD13 ' A' ' 844' ' ' LEU . 1.7 mt -73.89 -31.41 63.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.973 0.416 . . . . 2.14 110.407 174.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.5 13.74 64.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.897 -0.668 . . . . 0.62 113.13 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . 0.486 ' HB2' HD12 ' A' ' 844' ' ' LEU . 22.6 m-85 -96.19 172.74 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.74 0.27 . . . . 1.67 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.908 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.6 tp-100 -70.01 133.49 47.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 2.92 110.208 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 6.6 t -109.14 112.97 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.836 0.351 . . . . 1.39 111.134 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.23 112.17 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 1.95 109.388 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.551 HG22 HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -94.17 144.27 25.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.713 0.635 . . . . 1.24 112.713 -173.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -151.28 171.13 17.93 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.855 -0.611 . . . . 1.15 109.358 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.57 71.66 1.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.086 0.772 . . . . 2.4 113.086 -177.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.648 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.1 t70 162.06 164.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.17 0.988 . . . . 1.45 109.761 168.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.19 54.36 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.935 -0.866 . . . . 0.66 110.935 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.75 -30.88 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 1.55 110.439 176.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 20.3 t0 -62.58 -32.67 73.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.84 110.041 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.15 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.42 -0.809 . . . . 1.2 110.903 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.611 ' HA ' HD13 ' A' ' 864' ' ' LEU . 1.4 pp -69.5 -27.7 65.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.318 . . . . 2.43 110.745 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -51.69 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 2.14 109.758 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -32.74 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.53 110.24 176.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' A' ' 861' ' ' LEU . 0.7 OUTLIER -65.6 -32.6 74.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 2.23 111.134 178.1 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.4 m -73.16 -28.9 62.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.97 110.171 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -22.8 23.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.024 -0.534 . . . . 3.88 111.982 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -149.95 141.11 23.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.409 0.147 . . . . 1.86 110.979 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -48.86 -65.89 0.49 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.681 0.613 . . . . 3.83 112.472 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.563 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.0 OUTLIER 66.25 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 123.601 0.563 . . . . 1.62 111.029 -173.007 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.465 ' N ' HG22 ' A' ' 869' ' ' ILE . 7.1 t0 -103.86 -55.28 2.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 1.64 110.806 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.423 HD11 HG13 ' A' ' 943' ' ' VAL . 12.9 mm -123.74 133.29 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.68 110.109 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.479 HG11 HD22 ' A' ' 828' ' ' LEU . 74.8 t -105.29 127.13 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 1.3 111.094 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 900' ' ' ILE . 11.7 mt -119.02 98.99 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.963 -0.562 . . . . 1.46 109.545 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.55 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -94.39 96.75 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.141 0.496 . . . . 1.37 110.075 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.609 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 0.3 OUTLIER -97.53 130.64 44.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.618 -0.719 . . . . 1.34 110.611 -178.155 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.327 -0.397 . . . . 1.82 110.989 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 1.006 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.9 p90 . . . . . 0 CA--C 1.514 -0.418 0 CA-C-O 121.577 0.704 . . . . 3.02 112.032 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.541 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.4 -24.77 57.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.199 -0.909 . . . . 3.74 111.216 -164.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -34.79 78.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 122.122 0.963 . . . . 2.82 108.868 -171.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.471 HG23 HG23 ' A' ' 890' ' ' ILE . 31.5 m -80.57 -27.36 37.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.181 -1.372 . . . . 1.55 109.535 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 892' ' ' GLN . 0.4 OUTLIER -57.46 -45.51 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.336 -0.616 . . . . 2.4 109.336 173.108 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.89 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.3 -0.864 . . . . 2.86 110.759 175.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.471 HG23 HG23 ' A' ' 887' ' ' THR . 0.1 OUTLIER -63.0 -34.33 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.896 0.379 . . . . 2.15 110.761 177.423 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.444 ' HA ' HD22 ' A' ' 895' ' ' LEU . 1.2 ttp85 -67.03 -45.15 78.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.112 0.482 . . . . 2.75 110.329 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 42.5 mt-30 -67.01 -24.16 65.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 3.05 110.418 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -20.6 63.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 2.43 111.346 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.44 4.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.514 -0.851 . . . . 1.12 111.735 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -58.58 146.18 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.181 0.515 . . . . 3.34 111.639 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.12 32.35 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.856 -0.611 . . . . 2.85 110.534 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.16 158.63 34.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 1.91 109.806 -177.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.47 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 6.2 Cg_exo -78.42 138.28 15.51 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.096 2.53 . . . . 1.09 113.003 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.885 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.1 t -118.36 135.64 58.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.395 0.617 . . . . 1.31 111.17 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.513 ' HB ' HD22 ' A' ' 873' ' ' LEU . 27.5 mt -118.15 131.15 71.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.751 -0.659 . . . . 1.28 109.979 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -116.44 110.39 2.14 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.833 -0.699 . . . . 0.51 111.842 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.45 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 23.5 t -98.6 113.55 33.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.462 -0.57 . . . . 1.64 109.462 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 44.1 p -113.78 156.08 24.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 1.35 111.807 -170.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -109.52 104.91 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 1.59 110.761 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.22 43.45 26.6 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.707 0.63 . . . . 3.03 111.527 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 909' ' ' GLU . . . -90.71 89.5 7.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.509 . . . . 2.81 110.312 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.89 121.06 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.739 -0.664 . . . . 4.33 111.374 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 68.96 27.15 5.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.495 -0.775 . . . . 2.52 112.03 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.803 ' HB3' ' HB1' ' A' ' 906' ' ' ALA . 1.1 pm0 -65.67 -28.39 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.909 -0.404 . . . . 3.31 109.909 176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.451 ' HG3' ' OE1' ' A' ' 909' ' ' GLU . 26.5 mt-10 -59.8 -37.11 78.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.865 -0.607 . . . . 3.58 110.35 176.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -73.91 -36.2 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 2.7 110.593 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 1.006 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -71.1 -29.21 64.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.245 -0.582 . . . . 3.07 110.231 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.688 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.1 OUTLIER -63.39 -35.21 79.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 4.72 109.991 173.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.41 -26.51 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 2.18 110.145 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.109 -0.496 . . . . 2.39 111.841 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.688 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -77.89 -42.75 32.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.579 -0.448 . . . . 3.47 111.546 -178.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 917' ' ' SER . . . . . 0.43 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 50.6 m 52.26 50.49 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.493 0.923 . . . . 1.35 113.493 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -129.09 -8.31 3.76 Favored Glycine 0 C--N 1.317 -0.497 0 C-N-CA 120.158 -1.02 . . . . 1.02 111.724 173.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.885 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.1 ttm -78.83 -113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.264 . . . . 2.46 110.913 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.615 ' HB2' ' O ' ' A' ' 919' ' ' MET . 19.2 t0 160.43 -53.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.55 1.14 . . . . 1.26 109.23 174.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.5 m -131.51 140.66 49.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.913 -0.585 . . . . 1.26 111.146 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 3.8 m -123.01 130.63 53.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.322 -0.399 . . . . 2.14 109.926 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 10.0 mt -120.83 177.08 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.886 0.374 . . . . 1.28 110.925 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.74 139.66 33.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.746 -0.661 . . . . 1.11 110.025 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 1.5 tptt -49.36 -39.63 40.58 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 113.523 0.934 . . . . 1.69 113.523 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 44.0 Cg_endo -69.4 59.59 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.767 1.645 . . . . 1.33 112.567 171.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.9 166.66 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.338 -0.392 . . . . 1.94 110.59 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.56 171.95 13.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 1.48 110.322 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 929' ' ' LEU . 1.3 tm? -60.15 -46.27 90.24 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 123.282 0.364 . . . . 1.47 110.728 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 37.9 t70 -68.17 -41.53 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.961 -0.295 . . . . 1.85 111.044 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 11.2 t -60.77 -47.98 90.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.769 0.319 . . . . 1.51 110.571 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -24.61 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 1.69 110.274 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -40.26 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 2.36 110.634 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 0.9 OUTLIER -61.33 -49.69 75.94 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.029 -0.36 . . . . 2.76 110.029 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -45.71 91.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.23 111.347 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.25 -49.19 72.86 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.37 -0.377 . . . . 1.41 111.417 -178.04 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.0 m -65.18 -39.82 93.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.502 -0.317 . . . . 1.41 111.527 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -38.27 73.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 1.99 110.597 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 2.6 m-30 -71.61 -36.42 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.383 . . . . 1.99 110.56 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.58 -35.47 80.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 1.22 110.859 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.1 -33.98 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.157 -0.312 . . . . 1.87 110.157 177.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.536 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 14.6 tpp180 -65.98 -47.29 75.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.339 -0.391 . . . . 3.6 110.31 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 871' ' ' ILE . 31.9 m -71.62 -30.02 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.814 -0.354 . . . . 1.3 110.351 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 1.1 tpt180 -62.85 -50.49 70.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.314 -0.403 . . . . 4.16 110.595 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.07 -39.38 93.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.991 -0.549 . . . . 3.22 110.815 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 14.9 m -72.4 -25.24 61.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 1.34 111.636 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 4.07 110.557 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.697 ' HE3' HG22 ' A' ' 943' ' ' VAL . 1.6 mmt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.839 0.352 . . . . 2.4 110.611 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 26.7 ttm -89.01 117.34 27.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 2.38 110.121 177.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.487 HD13 HG23 ' A' ' 827' ' ' ILE . 1.3 mm -111.17 136.79 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 1.17 110.231 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 869' ' ' ILE . 17.4 tp -105.15 119.14 38.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 1.99 110.487 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.503 HG13 ' HG ' ' A' ' 840' ' ' LEU . 6.4 m -104.25 101.73 12.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.493 0.663 . . . . 1.67 110.181 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 856' ' ' ASP . 0.0 OUTLIER -109.48 86.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 1.56 111.485 -174.172 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.831 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -107.66 144.12 35.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.597 0.236 . . . . 1.3 110.945 -176.204 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.42 -9.58 44.15 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.728 0.64 . . . . 2.03 112.728 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 92.93 45.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.962 -0.461 . . . . 2.8 110.638 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -29.31 -41.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.755 1 C-N-CA 126.222 4.615 . . . . 1.39 116.869 -170.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -57.68 -36.35 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 120.877 0.37 . . . . 2.71 111.523 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.521 ' ND2' ' HZ2' ' A' ' 925' ' ' LYS . 71.8 m-20 -72.87 -38.46 66.98 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.632 -0.507 . . . . 2.24 109.632 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -53.4 -52.03 60.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 3.21 111.211 179.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.611 ' HD2' ' HG ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -67.02 -34.95 78.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.444 -0.344 . . . . 3.24 111.23 -177.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.611 ' HG ' ' HD2' ' A' ' 838' ' ' ARG . 20.6 mt -71.4 -45.74 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.232 0.539 . . . . 1.72 111.09 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.503 ' HG ' HG13 ' A' ' 829' ' ' VAL . 18.8 tp -68.16 -40.31 82.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.495 -0.775 . . . . 1.99 110.498 -178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 837' ' ' ARG . . . -67.89 -31.88 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.25 110.53 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -61.68 -50.78 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 1.34 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.781 ' HG3' HD21 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.01 -37.85 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 2.07 111.035 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 849' ' ' TYR . 12.4 tp -65.14 -37.86 88.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 1.81 110.828 177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.17 96.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.96 -0.564 . . . . 0.56 112.108 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -27.74 69.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.888 0.375 . . . . 1.03 110.595 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -29.02 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 2.14 110.754 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.91 19.62 53.02 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.863 -0.684 . . . . 0.62 111.661 -176.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 844' ' ' LEU . 7.6 m-85 -102.96 153.8 19.86 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 1.67 109.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 3.2 mm100 -69.29 128.79 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.923 0.392 . . . . 2.92 110.604 -177.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 112.77 23.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.082 -0.508 . . . . 1.39 110.986 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.08 123.02 48.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.18 -0.674 . . . . 1.95 109.18 175.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 131.04 43.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.473 0.546 . . . . 1.24 112.473 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.568 ' HB3' ' CG1' ' A' ' 830' ' ' VAL . . . -149.18 174.44 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 1.15 108.824 176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.643 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 7.5 p-10 -151.2 73.31 1.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.628 -0.829 . . . . 2.4 113.143 -171.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.643 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.3 t70 162.9 156.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.807 0.843 . . . . 1.45 109.88 167.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.473 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -68.85 -41.17 83.72 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.189 -1.005 . . . . 0.66 111.611 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.27 -30.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.752 0.31 . . . . 1.55 110.656 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.88 -30.93 71.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.032 0.444 . . . . 0.84 110.122 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.33 -44.58 88.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 1.2 110.79 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.752 HD13 HG12 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -66.47 -38.73 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 2.43 110.587 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.62 -52.05 67.2 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.604 -0.726 . . . . 2.14 110.943 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 869' ' ' ILE . 13.7 p -70.42 -31.48 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.293 -0.412 . . . . 1.53 110.829 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -61.09 -37.54 83.1 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.434 -0.348 . . . . 2.23 111.526 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.1 -34.29 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.814 0.34 . . . . 0.97 110.466 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -56.02 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.964 -0.562 . . . . 3.88 110.927 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -131.79 137.92 48.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.874 -0.417 . . . . 1.86 109.874 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -77.35 92.22 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.26 0.552 . . . . 3.83 111.447 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 828' ' ' LEU . 1.4 mp -78.97 143.09 13.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.933 -1.136 . . . . 1.62 107.933 166.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.585 ' HB3' ' HE1' ' A' ' 825' ' ' MET . 0.8 OUTLIER -93.26 -25.95 17.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.435 0.532 . . . . 1.64 112.435 -169.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.577 HD11 HG11 ' A' ' 943' ' ' VAL . 22.6 mm -129.85 125.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.243 -0.28 . . . . 1.68 110.243 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.556 HG21 HD12 ' A' ' 897' ' ' LEU . 11.7 t -98.23 123.24 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 1.3 110.936 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 900' ' ' ILE . 28.1 mt -121.11 98.22 5.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.884 -0.413 . . . . 1.46 109.884 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 33.6 p -91.56 103.73 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 1.37 109.847 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.831 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 17.1 t0 -87.17 105.22 17.05 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.551 -0.75 . . . . 1.34 110.159 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 27.6 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.811 -0.631 . . . . 1.82 111.207 -171.228 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.538 ' HD2' ' HG2' ' A' ' 916' ' ' GLU . 33.1 p90 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 122.602 1.191 . . . . 3.02 111.349 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.779 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 1.1 tmm_? -55.02 -28.92 55.83 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.744 -1.116 . . . . 3.74 109.948 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 890' ' ' ILE . 0.0 OUTLIER -63.79 -25.23 68.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.205 0.526 . . . . 2.82 109.667 -177.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.715 HG21 ' H ' ' A' ' 918' ' ' GLY . 0.6 OUTLIER -71.54 -31.32 66.89 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.1 -1.074 . . . . 1.55 108.1 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.668 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.3 tt0 -65.64 -44.06 87.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.532 -1.213 . . . . 2.4 110.428 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -60.74 -38.63 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 2.86 110.34 177.445 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.752 HG12 HD13 ' A' ' 861' ' ' LEU . 56.0 mt -59.58 -51.01 77.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.064 -0.516 . . . . 2.15 111.031 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -41.52 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 2.75 110.85 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.461 HE21 ' HG2' ' A' ' 888' ' ' GLN . 1.1 mp0 -67.24 -30.71 70.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 3.05 110.718 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -55.48 9.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 2.43 109.874 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.67 72.53 0.25 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.732 -0.747 . . . . 1.12 111.928 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.413 ' HB3' HG22 ' A' ' 890' ' ' ILE . 0.7 OUTLIER -67.72 135.64 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 3.34 110.689 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.15 -1.22 14.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.113 -0.494 . . . . 2.85 110.406 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 872' ' ' VAL . 1.0 OUTLIER -137.31 158.63 71.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.65 -0.704 . . . . 1.91 110.194 -174.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.27 129.63 26.11 Favored 'Trans proline' 0 C--O 1.244 0.822 0 C-N-CA 123.131 2.554 . . . . 1.09 113.571 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.748 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 12.0 t -111.59 121.77 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.639 -0.71 . . . . 1.31 110.252 174.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.64 ' HB ' HD23 ' A' ' 873' ' ' LEU . 1.1 mt -114.31 116.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.73 -0.668 . . . . 1.28 109.497 176.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -102.5 126.64 8.94 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.449 -0.881 . . . . 0.51 112.136 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.534 ' HB ' ' OD1' ' A' ' 875' ' ' ASP . 2.1 t -91.12 95.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.203 -0.665 . . . . 1.64 109.203 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.91 173.46 7.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.815 -0.63 . . . . 1.35 111.445 -173.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -142.99 103.66 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.643 0.258 . . . . 1.59 110.869 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.96 -103.64 0.11 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.553 -0.749 . . . . 3.03 111.291 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 58.62 18.24 5.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.966 0.506 . . . . 2.81 111.642 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.2 mp 69.95 -53.64 0.62 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.702 0.801 . . . . 4.33 111.713 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 911' ' ' LYS . . . -139.92 71.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.424 -0.353 . . . . 2.52 110.384 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.6 -50.74 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 3.31 111.537 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -61.15 -40.94 95.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 3.58 110.588 -179.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 908' ' ' ALA . 1.0 OUTLIER -63.54 -36.52 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 2.7 110.754 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.531 ' HB3' ' CG ' ' A' ' 884' ' ' TYR . 2.7 mp0 -73.4 -31.0 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 3.07 109.992 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.686 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 11.5 ttp180 -66.73 -27.53 67.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.829 -0.623 . . . . 4.72 110.085 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 70.3 m -76.27 -30.34 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.638 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -51.32 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 2.39 111.075 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.739 ' HG3' ' HA ' ' A' ' 885' ' ' ARG . 8.9 mm-40 -78.05 -25.77 47.97 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.946 -0.57 . . . . 3.47 110.564 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.52 53.12 13.5 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.476 1.658 . . . . 1.35 115.476 166.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.715 ' H ' HG21 ' A' ' 887' ' ' THR . . . -141.29 25.63 2.48 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.413 -1.375 . . . . 1.02 113.966 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.748 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.1 ttt -113.94 -100.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.563 0.681 . . . . 2.46 111.734 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.3 t70 160.5 -57.33 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.364 -1.289 . . . . 1.26 107.711 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 58.4 m -147.59 160.27 42.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.116 -0.947 . . . . 1.26 110.749 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.686 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -133.01 147.54 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 2.14 110.41 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.62 -175.69 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.502 -0.555 . . . . 1.28 109.502 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.96 135.83 50.89 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.287 -0.165 . . . . 1.11 111.008 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.521 ' HZ2' ' ND2' ' A' ' 836' ' ' ASN . 0.1 OUTLIER -43.64 -47.47 19.38 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.494 0.924 . . . . 1.69 113.494 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 22.0 Cg_exo -67.8 60.14 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.102 1.868 . . . . 1.33 112.445 174.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 1.1 t -89.33 143.4 11.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 1.94 110.41 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.62 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.435 -0.348 . . . . 1.48 111.413 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.781 HD21 ' HG3' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -55.53 -40.15 71.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.04 -0.527 . . . . 1.47 111.512 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.6 -43.24 60.21 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.941 -0.304 . . . . 1.85 111.109 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.65 -45.48 97.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.069 0.462 . . . . 1.51 110.621 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.4 tt -65.0 -28.87 45.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.211 -0.45 . . . . 1.69 110.719 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.535 ' HE2' ' HB3' ' A' ' 933' ' ' LYS . 0.3 OUTLIER -69.05 -47.61 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.523 -0.308 . . . . 2.36 111.472 -178.486 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -44.85 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 2.76 110.423 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.605 -0.271 . . . . 1.23 111.477 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.4 OUTLIER -57.08 -56.61 19.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.318 0.58 . . . . 1.41 110.667 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.7 m -61.86 -41.01 97.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.06 -0.973 . . . . 1.41 111.373 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 1.99 111.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.16 -27.33 30.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.159 0.429 . . . . 1.99 112.159 -174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.69 96.66 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.311 0.577 . . . . 1.22 110.102 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 5.2 pt-20 -74.23 -26.97 60.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.868 -0.605 . . . . 1.87 110.35 177.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -69.08 -48.48 62.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 3.6 110.809 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.697 HG22 ' HE3' ' A' ' 825' ' ' MET . 5.7 m -65.14 -33.87 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 1.3 110.386 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -65.26 -43.06 92.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 4.16 110.459 175.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.6 mtmm -64.32 -45.67 86.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 3.22 110.915 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.8 m -63.57 -41.03 98.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 1.34 111.935 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.951 0.405 . . . . 4.07 111.063 -178.346 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.471 ' HE1' HG22 ' A' ' 943' ' ' VAL . 3.3 ttm . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.608 -0.515 . . . . 2.4 109.608 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.504 ' CG ' ' HA ' ' A' ' 869' ' ' ILE . 0.7 OUTLIER -91.22 124.46 35.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.286 0.565 . . . . 2.38 110.643 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.736 ' HB ' HD23 ' A' ' 844' ' ' LEU . 1.2 mm -112.97 132.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.216 -0.902 . . . . 1.17 109.615 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 854' ' ' ALA . 22.1 tp -100.99 111.66 23.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.676 0.274 . . . . 1.99 110.895 -176.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.501 HG12 HD21 ' A' ' 840' ' ' LEU . 1.5 m -92.5 95.59 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.54 . . . . 1.67 109.812 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.727 HG12 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.21 82.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 1.56 110.924 -176.001 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -104.53 138.75 40.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.918 0.389 . . . . 1.3 110.731 -176.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -18.6 35.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.832 -0.622 . . . . 2.03 112.234 -175.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 3.0 m80 -128.61 102.04 20.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 121.91 -0.494 . . . . 2.8 110.946 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 7.9 Cg_exo -30.21 -41.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.807 1 C-N-CA 126.901 5.068 . . . . 1.39 117.184 -165.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -34.89 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 117.93 0.332 . . . . 2.71 111.636 -175.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.17 -25.24 29.73 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.465 -0.494 . . . . 2.24 111.205 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 5.5 ttp-105 -62.2 -53.35 56.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 3.21 110.4 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.42 91.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.665 -0.698 . . . . 3.24 110.813 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.95 -41.59 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 1.72 110.784 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.722 HD13 HD13 ' A' ' 932' ' ' ILE . 15.9 tp -66.47 -37.53 85.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 1.99 110.433 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.65 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.25 110.537 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.09 -45.5 81.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 1.34 109.793 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -40.81 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.706 -0.679 . . . . 2.07 110.572 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.736 HD23 ' HB ' ' A' ' 827' ' ' ILE . 6.9 tp -62.87 -32.35 73.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 1.81 110.694 176.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.43 91.44 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.825 -0.625 . . . . 0.56 111.977 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 1.03 110.226 175.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.633 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -72.41 -34.3 67.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.882 -0.599 . . . . 2.14 110.182 175.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 83.71 25.28 46.8 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.624 -0.717 . . . . 0.62 112.243 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . 0.423 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 0.6 OUTLIER -99.77 167.54 10.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 1.67 111.399 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.55 127.05 31.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.845 -0.616 . . . . 2.92 110.785 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.7 m -105.66 119.12 38.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.151 -0.477 . . . . 1.39 110.625 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.538 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.0 OUTLIER -110.86 116.52 31.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 1.95 109.672 177.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 129.17 35.83 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.452 0.538 . . . . 1.24 112.452 -172.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.727 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -156.78 163.81 38.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.457 -0.942 . . . . 1.15 108.457 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -146.85 70.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.292 -0.963 . . . . 2.4 112.712 -171.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.681 ' OD2' HG23 ' A' ' 858' ' ' VAL . 0.0 OUTLIER 160.64 158.23 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.399 1.062 . . . . 1.45 109.504 171.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.07 -45.9 90.42 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.24 -0.505 . . . . 0.66 113.246 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.681 HG23 ' OD2' ' A' ' 856' ' ' ASP . 34.9 m -74.74 -29.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 117.195 0.497 . . . . 1.55 112.006 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.15 -28.02 69.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.889 0.376 . . . . 0.84 110.444 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -61.11 -38.02 84.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 1.2 110.132 173.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 890' ' ' ILE . 3.2 mm? -67.82 -40.32 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 2.43 110.215 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.86 -53.37 59.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.609 -0.723 . . . . 2.14 110.545 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.55 -32.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.261 -0.427 . . . . 1.53 110.716 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.1 OUTLIER -63.11 -40.17 96.83 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.954 0.407 . . . . 2.23 110.519 176.198 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 12.8 m -69.24 -27.31 65.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.452 . . . . 0.97 110.555 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -45.45 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 3.88 111.551 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.33 146.32 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 1.86 110.774 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.07 112.39 9.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.279 0.561 . . . . 3.83 111.255 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.537 HG22 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -96.43 145.37 8.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.076 -1.083 . . . . 1.62 108.076 168.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.467 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.2 m-20 -90.18 -47.13 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.843 -0.343 . . . . 1.64 111.535 -173.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.466 HD12 ' HB3' ' A' ' 939' ' ' TYR . 12.4 mm -122.24 122.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.849 -0.426 . . . . 1.68 109.849 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.07 124.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.955 -0.298 . . . . 1.3 110.781 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.803 -0.443 . . . . 1.46 109.803 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.58 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 1.37 110.673 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.646 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 61.8 t0 -102.98 120.07 39.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.38 -0.827 . . . . 1.34 110.456 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.351 -0.386 . . . . 1.82 111.235 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 1.068 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.415 0.626 . . . . 3.02 111.123 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -59.21 -27.38 65.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.675 -0.693 . . . . 3.74 112.231 -168.111 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 886' ' ' LEU . 0.2 OUTLIER -72.82 -26.46 61.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.535 1.159 . . . . 2.82 108.58 -171.243 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 1.083 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 56.7 m -84.89 -24.67 28.4 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 113.953 -1.476 . . . . 1.55 108.843 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 11.8 tm0? -56.84 -39.71 74.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.116 -0.698 . . . . 2.4 109.116 169.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -43.95 88.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.512 -0.767 . . . . 2.86 109.95 170.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 861' ' ' LEU . 0.3 OUTLIER -53.8 -41.32 47.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.921 0.391 . . . . 2.15 110.68 175.014 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 2.75 110.992 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.73 -40.05 82.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 3.05 110.535 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -49.45 33.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.806 -0.634 . . . . 2.43 110.194 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.78 92.18 2.25 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.082 -0.807 . . . . 1.12 111.082 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.623 ' HG ' HG21 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -88.49 155.04 19.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.383 0.611 . . . . 3.34 111.74 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.5 t -124.95 13.19 8.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 2.85 109.51 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.583 HD22 HD23 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -139.2 159.67 65.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.11 -0.95 . . . . 1.91 110.263 -174.067 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.65 139.02 12.33 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 123.104 2.536 . . . . 1.09 113.117 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.742 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 68.2 t -112.73 122.31 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.437 0.636 . . . . 1.31 110.821 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 0.0 OUTLIER -100.92 112.78 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.685 -0.689 . . . . 1.28 109.198 174.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.37 104.37 3.16 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.519 -0.848 . . . . 0.51 112.576 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.2 t -79.62 94.23 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.812 . . . . 1.64 108.806 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.88 130.9 54.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.051 0.453 . . . . 1.35 112.167 -171.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -119.14 128.81 54.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.816 -0.629 . . . . 1.59 109.842 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 65.84 22.61 11.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.194 0.521 . . . . 3.03 111.33 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -113.69 90.87 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 2.81 109.984 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 168.71 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 4.33 111.118 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 60.96 34.14 19.54 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.415 0.626 . . . . 2.52 109.796 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -70.9 -26.22 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.057 -0.974 . . . . 3.31 111.622 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.76 -48.29 69.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.244 -0.65 . . . . 3.58 109.244 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -35.32 78.54 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.509 -0.769 . . . . 2.7 110.818 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 1.068 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -68.69 -36.94 79.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.472 -0.491 . . . . 3.07 109.855 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.475 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -61.51 -31.53 71.53 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.647 0.592 . . . . 4.72 110.457 177.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.24 -34.68 59.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.247 -0.433 . . . . 2.18 110.722 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -51.88 21.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 2.39 111.956 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 1.083 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -77.16 -31.77 55.77 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.984 -0.376 . . . . 3.47 109.984 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.61 51.58 15.78 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.648 0.981 . . . . 1.35 113.648 172.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -143.64 -2.94 0.87 Allowed Glycine 0 C--N 1.317 -0.492 0 C-N-CA 119.548 -1.31 . . . . 1.02 112.765 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.742 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.0 OUTLIER -77.92 -128.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 2.46 111.552 -175.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.467 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.6 t70 173.77 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.512 -0.921 . . . . 1.26 108.512 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 921' ' ' SER . . . . . 0.419 ' HG ' ' HH ' ' A' ' 939' ' ' TYR . 11.4 m -142.03 140.47 32.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.688 -0.687 . . . . 1.26 110.336 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 140.27 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.429 -0.35 . . . . 2.14 110.797 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.96 -179.65 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 1.28 110.333 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.513 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -106.54 158.95 16.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.975 -0.557 . . . . 1.11 110.147 179.179 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.585 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 1.9 tptt -52.18 -48.85 87.63 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.764 0.653 . . . . 1.69 112.764 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 8.2 Cg_exo -73.29 70.02 3.97 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.038 1.825 . . . . 1.33 112.565 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.21 117.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.532 . . . . 1.94 110.792 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.02 157.45 25.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 1.48 110.918 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.404 ' HA ' HD21 ' A' ' 929' ' ' LEU . 1.2 tm? -53.51 -46.54 70.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 1.47 111.378 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . 0.528 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 1.7 t0 -75.0 -27.31 60.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.831 -0.348 . . . . 1.85 111.406 -176.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.67 -47.63 75.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 1.51 109.237 176.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.722 HD13 HD13 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -68.55 -21.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 1.69 110.521 176.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.528 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -68.93 -43.23 75.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 2.36 111.051 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.03 -42.33 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.305 -0.558 . . . . 2.76 110.08 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.57 82.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 1.23 111.207 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.633 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -61.03 -49.93 75.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.185 -0.461 . . . . 1.41 110.706 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 87.3 m -62.27 -44.25 96.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.106 -0.497 . . . . 1.41 111.285 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 3.2 tp -65.81 -38.85 90.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 1.99 111.048 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.639 ' HA ' ' HD2' ' A' ' 942' ' ' ARG . 3.8 m-30 -72.24 -41.69 66.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.379 -0.373 . . . . 1.99 110.8 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.71 95.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 1.22 111.307 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -68.71 -39.09 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.808 -0.357 . . . . 1.87 110.268 178.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -68.1 -40.89 82.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.394 -0.366 . . . . 3.6 111.32 -176.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.471 HG22 ' HE1' ' A' ' 825' ' ' MET . 28.4 m -73.34 -30.28 30.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.87 0.367 . . . . 1.3 110.345 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.12 98.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.735 -0.468 . . . . 4.16 109.735 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.444 ' HZ1' ' CD ' ' A' ' 941' ' ' GLU . 6.2 mmtp -64.91 -43.81 91.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.582 . . . . 3.22 110.077 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.8 m -63.95 -17.54 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.114 -0.493 . . . . 1.34 111.937 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.576 0.227 . . . . 4.07 111.284 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.502 ' HE3' ' HA ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.218 0.533 . . . . 2.4 110.627 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 17.3 mtm -94.39 124.02 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.513 -0.767 . . . . 2.38 110.46 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 827' ' ' ILE . 1.2 mm -116.62 137.18 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.548 -0.751 . . . . 1.17 110.046 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.599 HD23 HG13 ' A' ' 872' ' ' VAL . 23.9 tp -106.63 107.5 18.54 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.276 -0.42 . . . . 1.99 110.14 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.566 HG12 ' HG ' ' A' ' 840' ' ' LEU . 0.2 OUTLIER -97.48 95.64 4.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 1.67 110.194 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.5 t -105.78 140.99 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 1.56 109.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.39 149.01 20.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.111 -0.329 . . . . 1.3 110.111 173.463 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -16.71 34.69 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.224 0.453 . . . . 2.03 112.224 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -118.31 90.15 37.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 119.824 -0.131 . . . . 2.8 110.672 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -34.32 -35.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.829 1 C-N-CA 125.507 4.138 . . . . 1.39 116.568 -168.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.09 -38.2 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.852 0.358 . . . . 2.71 111.139 178.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.06 -27.8 30.02 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.211 -0.306 . . . . 2.24 110.37 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 4.1 ttp180 -55.06 -49.05 72.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.233 0.54 . . . . 3.21 110.375 172.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.3 OUTLIER -66.82 -36.54 82.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 3.24 110.616 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.09 73.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 1.72 111.399 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 932' ' ' ILE . 33.1 tp -64.01 -41.83 97.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.99 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.64 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 1.25 110.887 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -48.4 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.329 0.585 . . . . 1.34 110.232 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.41 ' CG ' HD21 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.62 -32.62 73.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 2.07 110.45 178.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.67 -31.91 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 1.81 110.199 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.65 91.04 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.841 -0.618 . . . . 0.56 111.788 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -35.31 75.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.769 0.319 . . . . 1.03 110.214 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.748 HD12 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -69.94 -50.13 44.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.056 0.455 . . . . 2.14 110.462 174.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.33 22.66 21.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.86 -0.686 . . . . 0.62 112.952 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.51 175.86 6.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.006 -0.368 . . . . 1.67 110.006 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.6 OUTLIER -69.61 119.21 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.686 0.279 . . . . 2.92 111.23 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 103.24 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 1.39 110.936 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -105.07 113.51 27.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.887 -0.412 . . . . 1.95 109.887 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -90.88 145.46 24.73 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.944 0.72 . . . . 1.24 112.944 -172.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.463 ' O ' ' HD2' ' A' ' 837' ' ' ARG . . . -146.77 170.02 17.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.529 -1.285 . . . . 1.15 107.529 171.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 2.0 p-10 -145.01 72.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.102 -1.039 . . . . 2.4 112.991 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.614 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 4.4 t70 162.78 160.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.094 0.871 . . . . 1.45 109.264 172.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.501 ' HA2' HD21 ' A' ' 886' ' ' LEU . . . -68.08 -49.85 44.25 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.502 -0.856 . . . . 0.66 110.966 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -28.47 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.576 0.226 . . . . 1.55 110.905 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.2 t0 -58.39 -32.5 68.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.84 110.453 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.24 79.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 1.2 110.672 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.54 -39.52 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 2.43 110.242 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -51.82 59.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 2.14 110.579 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.406 HG12 HD12 ' A' ' 828' ' ' LEU . 9.0 p -67.1 -32.17 56.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.586 -0.279 . . . . 1.53 111.349 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 897' ' ' LEU . 6.1 mt -68.61 -31.89 71.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.957 0.408 . . . . 2.23 111.214 178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 30.4 m -79.08 -21.04 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.908 0.385 . . . . 0.97 110.769 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -43.18 13.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 3.88 111.019 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.08 150.0 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.469 -0.332 . . . . 1.86 110.569 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.58 93.63 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.999 0.428 . . . . 3.83 110.921 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.2 mp -81.04 155.81 4.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.241 -0.651 . . . . 1.62 109.241 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -67.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.524 -0.47 . . . . 1.64 111.034 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.424 HD13 HG11 ' A' ' 943' ' ' VAL . 48.8 mm -94.39 116.61 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.339 -0.391 . . . . 1.68 110.174 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.599 HG13 HD23 ' A' ' 828' ' ' LEU . 53.4 t -106.37 123.15 60.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.599 0.238 . . . . 1.3 110.795 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.41 HD21 ' HB ' ' A' ' 900' ' ' ILE . 1.1 mt -121.22 114.57 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.417 . . . . 1.46 109.942 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.501 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 6.4 p -111.04 107.3 16.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.743 0.306 . . . . 1.37 110.387 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 60.6 t0 -92.23 121.31 33.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.791 -0.641 . . . . 1.34 110.723 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.769 -0.65 . . . . 1.82 109.896 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.631 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 1.1 p90 . . . . . 0 C--O 1.239 0.54 0 CA-C-O 122.353 1.073 . . . . 3.02 110.474 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.679 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.1 OUTLIER -58.43 -26.96 63.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.164 -1.38 . . . . 3.74 111.58 -176.309 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.743 HD12 HD11 ' A' ' 890' ' ' ILE . 0.3 OUTLIER -67.8 -27.17 66.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.274 -1.01 . . . . 2.82 108.274 -175.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.878 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -80.23 -26.06 39.28 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 113.894 -1.503 . . . . 1.55 108.22 -178.561 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 3.6 tp-100 -62.84 -40.09 96.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 2.4 109.416 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -36.9 83.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.86 110.176 177.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 886' ' ' LEU . 75.9 mt -62.14 -35.65 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 2.15 110.303 176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.704 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -65.13 -36.46 84.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 2.75 110.519 176.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -76.74 -18.81 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.206 0.527 . . . . 3.05 110.483 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -25.53 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 2.43 110.432 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 83.15 80.37 1.0 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 1.12 111.933 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 890' ' ' ILE . 1.0 OUTLIER -73.43 142.41 46.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.09 0.471 . . . . 3.34 111.257 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 20.71 6.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.668 -0.696 . . . . 2.85 109.525 174.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 864' ' ' LEU . 0.2 OUTLIER -141.6 160.66 55.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.16 -0.927 . . . . 1.91 110.209 -172.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.6 113.18 3.72 Favored 'Trans proline' 0 C--O 1.24 0.575 0 C-N-CA 122.711 2.274 . . . . 1.09 112.262 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 32.6 t -99.09 110.08 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.303 0.573 . . . . 1.31 110.048 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.499 HG23 HD13 ' A' ' 923' ' ' LEU . 0.7 OUTLIER -101.79 107.37 21.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.395 0.617 . . . . 1.28 109.829 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.66 101.64 2.66 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.504 -0.771 . . . . 0.51 112.616 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.665 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 30.5 t -75.84 121.08 26.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.527 -0.916 . . . . 1.64 108.527 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -134.29 139.66 45.86 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.663 -0.415 . . . . 1.35 111.661 -173.136 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -105.37 104.14 13.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 1.59 110.049 173.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 50.03 67.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.627 -0.715 . . . . 3.03 111.812 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' A' ' 909' ' ' GLU . . . -89.43 5.58 44.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.395 -0.366 . . . . 2.81 110.256 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.7 mt 59.76 83.48 0.13 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.337 -0.847 . . . . 4.33 110.797 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 65.16 52.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.586 -0.734 . . . . 2.52 110.413 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 906' ' ' ALA . 1.5 pm0 -57.37 -22.84 45.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.565 -0.743 . . . . 3.31 111.576 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -58.77 -48.21 82.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 3.58 110.354 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.72 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 2.7 110.375 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.631 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.0 mp0 -64.22 -40.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 3.07 110.253 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -59.94 -39.83 86.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 4.72 110.744 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 33.5 m -73.05 -32.42 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 2.18 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -47.58 59.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.007 -0.542 . . . . 2.39 111.123 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.878 ' HB2' HG22 ' A' ' 887' ' ' THR . 24.7 mm-40 -78.04 -24.18 47.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.007 0.432 . . . . 3.47 110.313 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 917' ' ' SER . . . . . 0.704 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER 51.21 50.98 17.9 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.937 1.088 . . . . 1.35 113.937 170.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.581 ' N ' HG21 ' A' ' 887' ' ' THR . . . -148.39 26.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.682 -0.77 . . . . 1.02 112.543 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.715 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.2 ttm -113.81 -110.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.963 0.411 . . . . 2.46 111.544 -173.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.543 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.0 t70 163.73 -60.17 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.761 -1.2 . . . . 1.26 107.761 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.11 163.71 36.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.028 -0.987 . . . . 1.26 109.601 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 139.99 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 2.14 110.927 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 900' ' ' ILE . 1.7 mt -122.59 -175.14 3.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 1.28 109.522 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.5 m -111.27 151.2 28.6 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.563 -0.162 . . . . 1.11 110.563 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.626 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 4.6 tttp -47.97 -42.53 49.04 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.436 0.902 . . . . 1.69 113.436 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.6 Cg_endo -65.13 61.45 0.32 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.172 1.915 . . . . 1.33 113.574 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 927' ' ' VAL . 0.8 OUTLIER -77.63 81.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.587 -0.523 . . . . 1.94 109.587 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -176.82 3.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 1.48 110.588 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.41 HD21 ' CG ' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -29.81 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.311 0.576 . . . . 1.47 109.613 175.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -68.06 -61.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 1.85 109.884 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.68 -43.14 86.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.579 -0.737 . . . . 1.51 111.587 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 840' ' ' LEU . 3.0 tt -68.44 -32.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.925 0.343 . . . . 1.69 111.925 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -76.03 -44.84 37.4 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 2.36 111.844 -176.045 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -42.9 98.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.41 -0.516 . . . . 2.76 110.029 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.4 m -67.69 -50.2 58.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 1.23 111.509 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.748 ' HG ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -61.62 -50.31 73.09 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.751 -0.204 . . . . 1.41 111.286 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 11.6 m -61.69 -44.2 97.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.469 -0.332 . . . . 1.41 111.689 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -69.43 -36.05 76.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.731 0.301 . . . . 1.99 111.294 -177.146 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.16 -32.19 33.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.818 -0.353 . . . . 1.99 111.461 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.502 ' HA ' ' HE3' ' A' ' 825' ' ' MET . . . -63.53 -43.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.03 0.443 . . . . 1.22 110.667 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.8 OUTLIER -71.73 -34.05 69.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.573 -0.451 . . . . 1.87 110.307 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.578 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.58 -42.93 91.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.684 -0.234 . . . . 3.6 111.251 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.52 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 17.2 m -72.71 -30.66 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.585 -0.446 . . . . 1.3 110.566 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -70.21 -43.74 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 4.16 111.071 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -73.32 -33.87 65.39 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.001 -0.28 . . . . 3.22 111.092 -179.526 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 34.1 m -73.69 -19.04 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 1.34 110.857 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 4.07 110.269 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 940' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.844 0.354 . . . . 2.4 111.132 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.4 ptp -113.94 122.57 47.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.144 0.497 . . . . 2.38 110.596 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.81 ' HB ' HD22 ' A' ' 844' ' ' LEU . 2.7 mm -119.09 140.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.478 -0.783 . . . . 1.17 110.074 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.871 ' HB2' HG23 ' A' ' 869' ' ' ILE . 11.6 tp -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.99 110.938 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.621 HG22 HG21 ' A' ' 853' ' ' THR . 0.0 OUTLIER -95.2 98.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.444 0.64 . . . . 1.67 109.904 176.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 21.0 t -109.62 143.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.53 -0.759 . . . . 1.56 110.106 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.721 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.49 146.04 18.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.056 -0.72 . . . . 1.3 109.056 171.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -13.29 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.529 0.566 . . . . 2.03 112.529 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.9 OUTLIER -130.95 92.97 32.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 O-C-N 122.198 -0.314 . . . . 2.8 110.744 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 67.6 Cg_exo -22.86 -44.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 1 C-N-CA 127.257 5.305 . . . . 1.39 118.02 -167.198 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.7 OUTLIER -55.31 -37.04 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 117.994 0.361 . . . . 2.71 111.958 -175.511 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -75.05 -39.46 60.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.904 -0.318 . . . . 2.24 110.18 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.857 ' HD3' ' HB ' ' A' ' 853' ' ' THR . 6.9 ttm180 -58.07 -47.66 82.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 3.21 111.535 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -67.95 -35.32 78.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 3.24 111.14 -177.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.35 75.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.071 0.463 . . . . 1.72 110.384 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.613 HD12 HD11 ' A' ' 932' ' ' ILE . 14.7 tp -63.27 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 1.99 110.533 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.45 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 1.25 111.36 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.54 -44.2 75.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 1.34 109.777 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.651 ' HG3' HD21 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -61.81 -49.63 75.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.405 -0.816 . . . . 2.07 110.394 177.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.81 HD22 ' HB ' ' A' ' 827' ' ' ILE . 42.6 tp -60.21 -41.59 93.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.929 -0.578 . . . . 1.81 111.066 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.78 -33.75 88.09 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.976 -0.63 . . . . 0.56 112.205 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 21.9 m -68.63 -26.99 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.319 . . . . 1.03 111.026 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.494 HD12 ' HG ' ' A' ' 936' ' ' LEU . 17.7 mt -71.27 -36.81 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 2.14 110.58 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 113.35 33.35 1.96 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.643 -0.789 . . . . 0.62 112.362 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -119.31 160.24 22.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.057 -0.349 . . . . 1.67 110.057 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 116.25 23.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 2.92 110.271 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.585 ' HB3' HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -91.41 108.67 20.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.64 -0.709 . . . . 1.39 111.614 -176.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 113.76 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.135 -0.691 . . . . 1.95 109.135 174.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.857 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 25.5 p -90.84 149.13 22.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.218 0.533 . . . . 1.24 112.052 -171.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.464 ' HB3' HG23 ' A' ' 830' ' ' VAL . . . -153.7 172.48 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.284 -0.871 . . . . 1.15 109.393 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.633 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.59 70.54 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.158 -0.617 . . . . 2.4 112.104 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t70 161.39 166.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.288 1.035 . . . . 1.45 109.593 170.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.488 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -75.41 -42.55 27.4 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.602 -0.809 . . . . 0.66 111.123 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.29 -28.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 1.55 110.677 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -55.45 -41.41 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.308 0.575 . . . . 0.84 109.88 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.378 -0.828 . . . . 1.2 110.96 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.953 HD22 HG13 ' A' ' 890' ' ' ILE . 2.8 mm? -57.78 -44.28 86.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.095 0.474 . . . . 2.43 110.948 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.67 -52.54 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.642 -0.708 . . . . 2.14 111.064 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.695 ' HA ' ' HE2' ' A' ' 866' ' ' LYS . 13.5 p -65.83 -32.83 59.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 1.53 111.043 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.556 HD23 HD21 ' A' ' 897' ' ' LEU . 7.8 mt -65.03 -34.57 78.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.864 0.364 . . . . 2.23 110.981 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.5 m -70.58 -35.23 72.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.97 110.642 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' A' ' 863' ' ' VAL . 27.3 mtmt -80.03 -30.64 39.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.15 -0.477 . . . . 3.88 111.439 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -154.39 136.17 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 1.86 110.353 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -78.06 97.37 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.119 0.485 . . . . 3.83 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.871 HG23 ' HB2' ' A' ' 828' ' ' LEU . 3.3 mp -75.91 132.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 107.445 -1.317 . . . . 1.62 107.445 165.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.41 -39.87 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.284 -0.567 . . . . 1.64 111.626 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 940' ' ' ALA . 7.8 mt -131.32 131.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.282 -0.266 . . . . 1.68 110.282 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.487 HG13 HD21 ' A' ' 828' ' ' LEU . 53.9 t -115.07 124.22 71.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.571 -0.286 . . . . 1.3 110.829 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -114.98 111.39 21.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.914 -0.402 . . . . 1.46 109.914 176.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.494 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -105.99 110.62 22.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.986 0.422 . . . . 1.37 110.629 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.721 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 52.0 t0 -94.94 125.75 39.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.689 . . . . 1.34 110.54 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.128 -0.487 . . . . 1.82 110.41 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 1.031 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.8 p90 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.878 0.846 . . . . 3.02 111.518 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.626 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.29 -27.4 62.11 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.939 -1.028 . . . . 3.74 110.535 -168.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.531 ' N ' HD13 ' A' ' 886' ' ' LEU . 0.0 OUTLIER -65.16 -29.24 70.06 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.692 0.758 . . . . 2.82 109.871 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 1.048 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 87.4 m -85.35 -24.88 27.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.088 -0.96 . . . . 1.55 109.046 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.606 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 22.7 tt0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.915 -0.772 . . . . 2.4 108.915 170.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -30.78 63.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.153 -0.931 . . . . 2.86 110.209 173.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.953 HG13 HD22 ' A' ' 861' ' ' LEU . 1.0 OUTLIER -60.56 -46.97 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.35 -0.386 . . . . 2.15 110.938 176.292 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.8 OUTLIER -69.65 -30.67 68.41 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.699 -0.4 . . . . 2.75 110.395 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -39.63 87.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.246 0.546 . . . . 3.05 110.572 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -46.79 33.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 2.43 110.39 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 128.54 83.35 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.328 -0.709 . . . . 1.12 111.328 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 138.53 57.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.174 0.512 . . . . 3.34 111.381 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.29 33.77 1.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.723 -0.671 . . . . 2.85 109.767 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.556 HD21 HD23 ' A' ' 864' ' ' LEU . 0.7 OUTLIER -164.52 155.62 13.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 1.91 110.214 -175.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.01 131.59 13.31 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 123.058 2.505 . . . . 1.09 112.398 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.69 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.8 t -108.66 128.64 64.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.115 -0.493 . . . . 1.31 110.073 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 55.0 mt -117.41 112.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.835 -0.621 . . . . 1.28 109.766 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.3 115.65 4.97 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.65 -0.786 . . . . 0.51 112.573 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -85.58 125.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.023 -1.103 . . . . 1.64 108.023 173.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 909' ' ' GLU . 4.1 p -137.91 148.6 45.47 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.442 -0.503 . . . . 1.35 111.938 -169.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.01 102.96 9.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.294 -0.412 . . . . 1.59 110.413 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 47.66 54.97 9.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.355 -0.839 . . . . 3.03 112.188 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -89.52 51.66 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.158 -0.474 . . . . 2.81 110.723 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.82 -102.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.461 -0.791 . . . . 4.33 110.303 -177.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 911' ' ' LYS . . . -120.7 92.19 3.71 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.21 -0.663 . . . . 2.52 109.21 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.42 ' HG2' ' OG1' ' A' ' 903' ' ' THR . 41.6 mp0 -60.44 -35.7 76.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.084 -0.507 . . . . 3.31 111.404 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -65.38 -27.88 68.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.99 0.424 . . . . 3.58 110.124 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.585 ' HB2' ' HB2' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -76.62 -36.02 57.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.953 -0.567 . . . . 2.7 110.59 -179.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 1.031 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -75.06 -29.78 60.83 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.689 -0.804 . . . . 3.07 109.562 176.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.49 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 9.3 ttp85 -62.55 -36.25 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.367 0.603 . . . . 4.72 109.888 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 96.9 m -74.2 -30.62 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 2.18 110.299 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.0 OUTLIER -70.76 -52.57 19.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.39 111.398 -178.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 1.048 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.41 -26.38 41.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.497 -0.32 . . . . 3.47 110.734 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.5 50.26 17.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.87 1.063 . . . . 1.35 113.87 173.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -148.36 -16.35 0.11 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.487 -1.34 . . . . 1.02 114.216 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.721 ' O ' ' HB2' ' A' ' 920' ' ' ASP . 4.9 mmt -62.82 -111.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.46 0.541 . . . . 2.46 112.46 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.721 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.1 t0 153.79 -58.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.439 1.096 . . . . 1.26 109.608 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.63 150.43 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 1.26 110.44 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.36 132.78 36.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.23 -0.441 . . . . 2.14 109.933 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 178.73 6.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 1.28 110.639 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 159.53 15.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.191 -0.459 . . . . 1.11 110.131 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.476 ' HZ3' ' CG ' ' A' ' 875' ' ' ASP . 1.0 OUTLIER -59.33 -48.42 96.09 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.702 0.63 . . . . 1.69 112.702 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.4 Cg_exo -74.69 68.41 5.48 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.241 1.96 . . . . 1.33 112.684 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.69 HG13 HG12 ' A' ' 931' ' ' VAL . 0.0 OUTLIER -90.44 116.18 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.181 -0.463 . . . . 1.94 110.521 175.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 176.7 9.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.191 -0.459 . . . . 1.48 111.759 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.651 HD21 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -56.2 -46.96 79.23 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.271 -0.422 . . . . 1.47 111.458 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.59 -37.92 49.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.713 -0.395 . . . . 1.85 111.791 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . 0.69 HG12 HG13 ' A' ' 927' ' ' VAL . 71.4 t -62.2 -44.67 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.394 0.616 . . . . 1.51 109.754 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -61.74 -38.45 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.346 -0.843 . . . . 1.69 109.686 174.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -63.23 -48.72 77.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 2.36 112.027 -176.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -47.28 84.57 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.69 -0.404 . . . . 2.76 110.869 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 5.2 m -65.11 -44.31 89.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 1.23 111.518 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -64.15 -57.4 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 1.41 111.473 -178.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 937' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 941' ' ' GLU . 11.2 m -56.87 -46.01 82.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 1.41 111.389 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -53.01 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.472 -0.331 . . . . 1.99 111.369 -177.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -46.97 30.96 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.926 0.343 . . . . 1.99 111.926 -174.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 871' ' ' ILE . . . -62.52 -42.11 99.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.22 111.512 -176.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 937' ' ' THR . 0.0 OUTLIER -74.64 -29.96 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.785 -0.366 . . . . 1.87 110.263 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -47.56 80.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.701 -0.227 . . . . 3.6 110.422 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 1.7 m -69.48 -39.07 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.683 -0.407 . . . . 1.3 110.375 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -61.6 -48.58 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 4.16 110.961 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -18.38 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.756 -0.202 . . . . 3.22 111.519 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 70.4 m -69.61 -40.26 76.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 1.34 110.354 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 4.07 110.243 178.064 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.41 ' SD ' ' HB3' ' A' ' 940' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 110.283 -0.265 . . . . 2.4 110.283 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.469 ' HG3' ' HA ' ' A' ' 869' ' ' ILE . 11.0 ptp -111.9 122.07 46.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.526 0.679 . . . . 2.38 110.213 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.595 HG23 ' HB ' ' A' ' 871' ' ' ILE . 4.6 mm -107.86 138.76 32.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.903 -1.044 . . . . 1.17 109.506 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 830' ' ' VAL . 39.0 tp -95.14 108.79 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.077 0.465 . . . . 1.99 110.672 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.754 HG23 HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -98.63 95.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.505 -0.771 . . . . 1.67 110.009 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.852 HG13 ' HB1' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.16 142.13 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.472 -0.785 . . . . 1.56 109.886 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.63 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -150.77 151.98 33.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.28 -0.267 . . . . 1.3 110.28 176.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -17.44 20.6 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.864 0.364 . . . . 2.03 111.661 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.06 88.06 44.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 122.302 -0.249 . . . . 2.8 110.431 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -25.27 -45.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 1 C-N-CA 126.51 4.806 . . . . 1.39 117.538 -166.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -30.43 41.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.87 0.367 . . . . 2.71 111.585 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.34 -33.47 43.01 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 110.268 -0.271 . . . . 2.24 110.268 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.405 ' HG2' HG23 ' A' ' 853' ' ' THR . 10.1 ttp180 -57.43 -40.69 78.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.17 0.51 . . . . 3.21 110.37 171.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.553 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -58.79 -46.6 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 3.24 110.447 178.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.553 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -72.89 -37.34 67.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 1.72 111.164 -177.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 20.9 tp -65.81 -41.82 91.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.654 -0.703 . . . . 1.99 110.674 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.96 62.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.556 . . . . 1.25 110.732 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.22 -46.72 69.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.673 -0.491 . . . . 1.34 109.673 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.58 ' HG2' ' HA ' ' A' ' 929' ' ' LEU . 0.2 OUTLIER -60.02 -44.43 94.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 2.07 110.314 176.552 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -41.81 99.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 1.81 110.74 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -64.38 -29.74 75.91 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.56 112.278 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' SER . . . . . 0.418 ' HB2' HD23 ' A' ' 929' ' ' LEU . 16.4 m -70.08 -29.69 66.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 1.03 110.151 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.622 HD12 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -69.16 -28.99 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 2.14 110.129 175.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.99 0.67 61.8 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.797 -0.638 . . . . 0.62 112.662 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -93.76 165.15 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.762 0.315 . . . . 1.67 110.908 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -68.27 120.23 14.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.554 . . . . 2.92 110.171 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 109.84 21.91 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.237 -0.438 . . . . 1.39 110.523 -177.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -98.09 110.67 23.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.499 -0.556 . . . . 1.95 109.499 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.754 HG22 HG23 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -93.9 133.43 37.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 1.24 112.202 -173.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.852 ' HB1' HG13 ' A' ' 830' ' ' VAL . . . -139.1 179.1 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.42 -0.809 . . . . 1.15 109.077 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -140.53 75.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.047 -0.661 . . . . 2.4 112.388 -169.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 2.3 t70 164.22 -176.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.077 0.86 . . . . 1.45 109.946 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.718 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -97.28 -41.42 3.46 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.407 -1.077 . . . . 0.66 110.407 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.72 -30.98 30.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 1.55 110.244 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.679 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -60.5 -32.34 71.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.84 110.404 179.284 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.549 ' HB2' HG22 ' A' ' 830' ' ' VAL . . . -58.99 -40.74 85.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.555 -0.748 . . . . 1.2 110.869 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 890' ' ' ILE . 5.3 tp -75.04 -37.03 61.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.258 -0.428 . . . . 2.43 110.601 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.41 -48.2 76.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.163 0.506 . . . . 2.14 110.76 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 860' ' ' ALA . 4.3 p -63.92 -30.46 50.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.491 . . . . 1.53 110.243 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.8 OUTLIER -65.63 -32.79 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 2.23 110.489 173.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 3.1 m -75.46 -15.73 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 0.97 110.311 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -45.95 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 3.88 112.53 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.34 -176.89 3.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 1.86 111.52 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.49 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 3.83 111.428 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.469 ' HA ' ' HG3' ' A' ' 826' ' ' MET . 2.8 mp -79.17 149.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.195 -0.298 . . . . 1.62 110.195 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.79 -45.33 5.5 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.911 0.337 . . . . 1.64 111.911 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.595 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.1 mm -122.4 135.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.023 -0.362 . . . . 1.68 110.023 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.464 HG21 HD22 ' A' ' 828' ' ' LEU . 46.9 t -122.61 120.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 1.3 111.561 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -129.93 115.9 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 1.46 109.656 175.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 132.27 54.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.569 0.223 . . . . 1.37 110.63 -176.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.649 ' HA ' HG12 ' A' ' 902' ' ' VAL . 52.7 t0 -101.46 126.81 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.665 -0.698 . . . . 1.34 110.952 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 903' ' ' THR . 14.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.143 -0.48 . . . . 1.82 110.575 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.832 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.2 p90 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 122.0 0.905 . . . . 3.02 109.729 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.501 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.15 -25.86 65.83 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.048 -0.978 . . . . 3.74 111.731 -168.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.718 HD22 ' HA3' ' A' ' 857' ' ' GLY . 3.6 pp -65.64 -28.64 69.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.376 -0.972 . . . . 2.82 108.376 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.682 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 4.0 m -73.75 -36.09 65.1 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 113.987 -1.46 . . . . 1.55 109.227 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.4 tm0? -62.85 -48.48 78.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.333 -0.849 . . . . 2.4 110.257 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -59.85 -33.99 72.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.695 -0.684 . . . . 2.86 110.808 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' A' ' 861' ' ' LEU . 10.3 mt -61.19 -50.58 79.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 2.15 110.678 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.444 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -73.38 -23.39 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.069 0.462 . . . . 2.75 111.157 -178.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -48.54 38.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 3.05 110.431 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 39.5 tp -73.34 -66.36 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 2.43 110.626 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 163.34 99.6 0.14 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.409 -0.9 . . . . 1.12 112.329 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.532 HD21 ' H ' ' A' ' 895' ' ' LEU . 1.3 pt? -92.03 168.32 11.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.058 0.456 . . . . 3.34 110.595 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 20.8 m -157.73 -26.71 0.08 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 2.85 110.052 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.459 ' H ' HD22 ' A' ' 897' ' ' LEU . 0.6 OUTLIER -100.79 160.54 26.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.589 -0.732 . . . . 1.91 110.221 -174.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.99 118.04 5.45 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.305 2.003 . . . . 1.09 110.282 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.804 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.0 t -96.86 106.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.44 0.638 . . . . 1.31 110.478 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 923' ' ' LEU . 0.0 OUTLIER -96.37 107.65 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.568 -0.742 . . . . 1.28 109.767 176.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.78 96.8 2.19 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.501 -0.772 . . . . 0.51 112.273 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 1.068 HG21 ' HB2' ' A' ' 923' ' ' LEU . 0.4 OUTLIER -81.38 119.17 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 1.64 108.317 174.11 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.557 HG22 ' HB ' ' A' ' 876' ' ' VAL . 2.1 p -143.11 163.42 32.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.801 -0.562 . . . . 1.35 111.955 -169.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.57 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.92 -0.582 . . . . 1.59 110.747 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 67.28 29.07 7.78 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.219 0.822 . . . . 3.03 113.219 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.587 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -93.86 -9.3 37.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.584 -0.446 . . . . 2.81 110.944 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 0.4 OUTLIER 77.32 -44.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.643 0.777 . . . . 4.33 112.187 173.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -140.75 56.81 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.969 0.414 . . . . 2.52 110.324 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.587 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 53.4 mp0 -55.42 -49.11 73.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.805 -0.634 . . . . 3.31 111.312 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -33.37 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.578 -0.737 . . . . 3.58 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.591 ' HE2' HD21 ' A' ' 915' ' ' LEU . 0.0 OUTLIER -71.0 -38.13 72.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.073 -0.512 . . . . 2.7 110.817 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.832 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.2 mp0 -74.42 -29.57 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.755 -0.778 . . . . 3.07 109.721 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.571 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 6.4 ttp85 -59.58 -41.53 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.031 -0.531 . . . . 4.72 109.901 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 63.8 m -73.1 -40.26 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 2.18 111.449 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.591 HD21 ' HE2' ' A' ' 911' ' ' LYS . 1.3 mm? -70.98 -51.5 25.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.881 0.372 . . . . 2.39 111.739 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.709 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 4.5 mm-40 -77.41 -24.04 50.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.971 0.415 . . . . 3.47 110.49 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.41 51.91 15.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.409 1.263 . . . . 1.35 114.409 167.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.623 ' H ' HG23 ' A' ' 887' ' ' THR . . . -141.22 25.67 2.49 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.267 -0.968 . . . . 1.02 112.073 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.804 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.8 ttt -108.12 -118.8 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.936 0.398 . . . . 2.46 111.5 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.0 t70 168.16 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.945 -1.025 . . . . 1.26 108.448 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.3 m -143.82 163.77 32.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.223 -0.899 . . . . 1.26 109.982 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.571 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 35.9 m -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.665 0.269 . . . . 2.14 110.498 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 1.068 ' HB2' HG21 ' A' ' 902' ' ' VAL . 0.7 OUTLIER -137.69 -176.22 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 1.28 110.023 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.28 137.98 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.678 -0.237 . . . . 1.11 110.532 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.617 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 18.1 tttp -39.73 -50.19 5.45 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 113.622 0.971 . . . . 1.69 113.622 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 15.7 Cg_exo -70.8 67.05 2.37 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.196 1.931 . . . . 1.33 113.078 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -87.94 126.42 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.552 -0.294 . . . . 1.94 110.65 175.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 175.87 7.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.508 -0.315 . . . . 1.48 111.053 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.7 OUTLIER -58.76 -45.85 88.81 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.121 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -44.68 87.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 1.85 110.793 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.6 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 1.51 110.924 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.3 tt -63.26 -34.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.485 -0.325 . . . . 1.69 110.614 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.42 ' HG2' HD23 ' A' ' 847' ' ' LEU . 0.0 OUTLIER -69.13 -31.83 70.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.783 -0.19 . . . . 2.36 110.879 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -61.39 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 2.76 110.061 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.48 93.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.581 . . . . 1.23 111.889 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.622 ' HG ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -58.34 -65.3 0.67 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.238 -0.437 . . . . 1.41 111.189 -178.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 1.6 m -64.02 -34.0 77.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.606 -0.725 . . . . 1.41 112.146 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -49.89 65.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.068 0.461 . . . . 1.99 110.98 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -74.03 -30.67 62.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 1.99 110.924 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.41 ' HB3' ' SD ' ' A' ' 825' ' ' MET . . . -59.27 -46.68 87.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 1.22 110.838 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -69.69 -31.02 68.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.415 -0.357 . . . . 1.87 110.375 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.747 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 2.2 mtt85 -66.35 -48.01 71.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 3.6 110.808 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 13.3 m -71.51 -30.26 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.732 0.301 . . . . 1.3 110.256 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -50.44 71.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 4.16 110.947 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.4 OUTLIER -70.22 -35.41 73.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.927 -0.309 . . . . 3.22 111.003 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.8 m -69.76 -20.89 63.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.846 0.355 . . . . 1.34 111.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.94 0.4 . . . . 4.07 110.437 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.193 0.52 . . . . 2.4 111.513 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -109.75 121.5 45.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 2.38 110.212 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.436 HG21 HD13 ' A' ' 827' ' ' ILE . 3.3 mm -114.52 141.12 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.979 -0.555 . . . . 1.17 109.716 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 872' ' ' VAL . 8.4 tp -104.81 112.45 25.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.975 0.416 . . . . 1.99 110.787 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.438 HG22 ' HB1' ' A' ' 841' ' ' ALA . 1.5 m -98.43 107.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.728 . . . . 1.67 110.321 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 27.1 t -105.19 142.72 17.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.621 -0.718 . . . . 1.56 109.825 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.548 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.57 139.88 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.102 0.251 . . . . 1.3 110.346 173.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -89.33 -6.9 56.31 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.485 0.55 . . . . 2.03 112.485 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -114.92 93.76 35.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 121.986 -0.446 . . . . 2.8 110.853 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -32.61 -50.73 0.37 Allowed 'Trans proline' 0 N--CA 1.482 0.805 0 C-N-CA 125.068 3.845 . . . . 1.39 116.241 -168.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.0 -40.01 74.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.377 0.608 . . . . 2.71 111.079 -178.093 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.494 ' CG ' ' HE3' ' A' ' 925' ' ' LYS . 12.0 m120 -73.23 -31.22 64.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.637 -0.711 . . . . 2.24 110.324 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.18 -51.03 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 3.21 110.718 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.01 -48.07 76.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 3.24 110.451 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.61 -30.83 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.72 111.739 -173.364 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.62 -44.26 67.6 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 1.99 109.976 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.438 ' HB1' HG22 ' A' ' 829' ' ' VAL . . . -67.33 -28.92 68.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 1.25 110.223 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.25 -53.44 52.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 1.34 109.818 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.593 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.77 -41.95 87.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.59 -0.732 . . . . 2.07 110.745 177.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.519 HD21 HD23 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -59.56 -42.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.736 -0.666 . . . . 1.81 110.473 178.044 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.12 -35.85 89.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.743 -0.662 . . . . 0.56 112.447 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.5 m -67.34 -28.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.67 0.271 . . . . 1.03 111.025 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' A' ' 936' ' ' LEU . 0.7 OUTLIER -65.83 -36.21 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 2.14 110.363 176.062 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.62 5.04 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.78 -0.724 . . . . 0.62 112.56 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -123.13 155.01 37.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.319 -0.252 . . . . 1.67 110.319 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.73 132.19 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.622 0.249 . . . . 2.92 110.593 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.0 100.3 9.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.173 -0.467 . . . . 1.39 111.11 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -89.29 120.89 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.074 -0.713 . . . . 1.95 109.074 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.66 144.14 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.5 0.555 . . . . 1.24 112.5 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.38 163.07 40.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.581 -0.736 . . . . 1.15 109.256 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 4.7 p30 -142.46 72.87 1.39 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.025 -0.67 . . . . 2.4 112.442 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 9.0 t0 163.92 156.17 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.102 -0.954 . . . . 1.45 109.626 172.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.443 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.42 -46.81 74.9 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.386 -0.912 . . . . 0.66 111.337 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.874 ' HA ' HD22 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -67.24 -30.76 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.626 0.25 . . . . 1.55 111.19 176.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -62.22 -35.97 80.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.979 0.418 . . . . 0.84 110.407 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.19 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.692 -0.685 . . . . 1.2 111.686 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' A' ' 858' ' ' VAL . 0.9 OUTLIER -74.68 -29.6 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 2.43 110.553 179.615 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . 0.452 ' O ' ' HE2' ' A' ' 866' ' ' LYS . 8.8 t-20 -60.92 -52.72 63.85 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.139 -0.482 . . . . 2.14 110.85 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.84 -30.95 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.443 . . . . 1.53 110.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -61.49 -35.28 77.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 2.23 111.0 176.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -29.8 66.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.151 0.5 . . . . 0.97 110.058 176.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . 0.452 ' HE2' ' O ' ' A' ' 862' ' ' ASN . 0.2 OUTLIER -72.27 -53.63 11.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 3.88 111.099 178.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -144.26 156.93 44.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.117 -0.492 . . . . 1.86 110.202 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 137.32 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.257 0.551 . . . . 3.83 111.308 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 870' ' ' ASP . 1.2 mp -124.72 146.4 30.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.37 -0.974 . . . . 1.62 108.37 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 869' ' ' ILE . 0.5 OUTLIER -67.72 -58.32 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 1.64 111.285 -176.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.37 137.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 1.68 109.902 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.603 HG22 HD23 ' A' ' 828' ' ' LEU . 11.3 t -111.79 123.19 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.696 0.284 . . . . 1.3 110.737 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -119.97 109.92 16.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.439 -0.578 . . . . 1.46 109.439 175.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.866 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -111.91 117.0 31.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.753 0.311 . . . . 1.37 110.987 -177.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 14.1 t0 -85.72 106.1 16.73 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.557 0.694 . . . . 1.34 110.481 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 114.642 -1.163 . . . . 1.82 109.428 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.781 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 6.2 p90 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 122.239 1.019 . . . . 3.02 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.551 ' HD3' ' OE1' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.08 -26.63 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.111 -1.404 . . . . 3.74 110.994 -173.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.75 -31.2 71.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.006 -0.543 . . . . 2.82 109.927 -174.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.654 ' HA ' HD13 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -77.69 -27.58 50.77 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.735 -0.839 . . . . 1.55 108.735 177.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.711 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 4.5 tm0? -62.32 -45.06 94.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.324 0.583 . . . . 2.4 109.748 170.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.727 ' HB3' HD23 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -62.39 -28.84 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.603 -0.726 . . . . 2.86 110.609 177.133 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 887' ' ' THR . 97.3 mt -68.83 -39.88 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.44 -0.345 . . . . 2.15 110.455 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.45 60.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.937 0.398 . . . . 2.75 110.304 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -71.73 -41.29 68.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.287 0.565 . . . . 3.05 110.018 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -40.65 84.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.449 -0.796 . . . . 2.43 110.584 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.97 75.84 1.2 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.882 -0.675 . . . . 1.12 111.523 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.416 HD22 HG23 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -61.4 131.97 51.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 3.34 111.529 -177.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.31 12.79 27.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.321 0.581 . . . . 2.85 109.95 176.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.487 HD11 HG21 ' A' ' 872' ' ' VAL . 0.5 OUTLIER -156.4 155.12 28.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.331 -0.849 . . . . 1.91 109.7 -174.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.04 136.93 39.48 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 122.893 2.395 . . . . 1.09 112.786 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.837 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 20.7 t -112.44 125.23 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.865 -0.607 . . . . 1.31 110.624 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.595 HG22 ' HG ' ' A' ' 923' ' ' LEU . 0.3 OUTLIER -108.67 112.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.68 -0.489 . . . . 1.28 109.68 176.053 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.421 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -90.87 112.36 4.1 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.776 -0.726 . . . . 0.51 112.214 -177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -84.44 109.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.997 -0.742 . . . . 1.64 108.997 178.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 66.8 p -116.23 164.14 14.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.12 0.486 . . . . 1.35 111.577 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.69 102.9 4.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.868 -0.605 . . . . 1.59 110.732 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.4 t30 47.22 60.82 3.21 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.948 0.78 . . . . 3.03 112.688 173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 909' ' ' GLU . . . -97.73 45.31 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 2.81 110.057 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.3 mt 67.53 -77.54 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.21 -0.905 . . . . 4.33 111.325 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -142.01 52.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.226 0.536 . . . . 2.52 110.054 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 906' ' ' ALA . 14.3 pm0 -63.69 -27.5 69.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.668 -0.696 . . . . 3.31 112.013 -174.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 909' ' ' GLU . 4.3 tp10 -62.01 -46.16 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.481 . . . . 3.58 109.74 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -38.01 77.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.005 -0.543 . . . . 2.7 110.739 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.781 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -70.47 -31.18 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.519 -0.472 . . . . 3.07 110.317 -178.461 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.42 ' HG3' ' SD ' ' A' ' 919' ' ' MET . 3.3 tmm_? -62.24 -41.56 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.777 -0.453 . . . . 4.72 109.777 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 37.9 m -65.92 -31.56 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.798 -0.637 . . . . 2.18 110.51 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.28 -52.16 17.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.255 -0.43 . . . . 2.39 111.5 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.711 ' HB3' ' HB2' ' A' ' 888' ' ' GLN . 13.4 mm-40 -72.43 -24.58 61.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.364 -0.38 . . . . 3.47 111.524 -175.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 6.4 m 50.85 52.23 15.37 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.147 1.166 . . . . 1.35 114.147 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.628 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -140.32 25.93 2.59 Favored Glycine 0 C--N 1.319 -0.41 0 C-N-CA 120.359 -0.924 . . . . 1.02 112.769 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.837 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.4 ttm -117.0 -117.98 0.32 Allowed 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.717 -0.284 . . . . 2.46 111.096 -176.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.1 t70 171.7 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.544 -0.91 . . . . 1.26 108.544 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 14.6 m -145.07 163.39 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.091 -0.959 . . . . 1.26 110.173 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 145.47 43.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 2.14 110.285 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.595 ' HG ' HG22 ' A' ' 900' ' ' ILE . 71.5 mt -130.52 178.07 6.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.489 . . . . 1.28 109.976 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.33 136.4 53.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.489 -0.323 . . . . 1.11 110.263 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.494 ' HE3' ' CG ' ' A' ' 836' ' ' ASN . 15.5 tttp -46.21 -50.29 38.57 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 112.898 0.703 . . . . 1.69 112.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.64 63.6 3.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 121.891 1.727 . . . . 1.33 112.914 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.26 134.55 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.454 . . . . 1.94 110.397 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 171.36 8.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.464 . . . . 1.48 111.217 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.593 HD22 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -61.03 -47.51 86.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.29 -0.414 . . . . 1.47 111.401 -177.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.97 -34.72 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.672 -0.411 . . . . 1.85 110.652 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.85 -47.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 1.51 110.421 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 3.9 tt -64.96 -28.23 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-O 120.78 0.324 . . . . 1.69 110.572 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -48.36 73.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.36 111.119 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -63.27 -49.63 73.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 2.76 110.664 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.2 m -62.65 -44.5 96.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 1.23 111.63 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.719 HD21 ' HG ' ' A' ' 847' ' ' LEU . 9.4 tp -69.25 -38.53 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.671 -0.24 . . . . 1.41 111.365 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 94.7 m -66.82 -44.74 80.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.68 0.276 . . . . 1.41 110.774 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -45.27 90.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 1.99 110.523 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -46.03 81.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.885 -0.598 . . . . 1.99 111.245 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.97 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 1.22 111.183 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.1 OUTLIER -64.82 -48.68 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 1.87 110.282 178.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 9.2 ptt85 -69.11 -34.02 74.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.068 -0.514 . . . . 3.6 111.766 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.402 HG21 ' N ' ' A' ' 944' ' ' ARG . 33.4 m -75.79 -32.5 24.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.932 0.396 . . . . 1.3 110.404 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.402 ' N ' HG21 ' A' ' 943' ' ' VAL . 0.5 OUTLIER -61.67 -50.33 72.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.097 -0.501 . . . . 4.16 109.948 178.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -77.26 -15.67 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 3.22 111.417 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 4.0 m -64.81 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.24 -0.184 . . . . 1.34 110.934 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.418 ' H ' ' HG3' ' A' ' 947' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 C-N-CA 120.588 -0.445 . . . . 4.07 110.949 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.236 0.379 0 CA-C-O 121.091 0.472 . . . . 2.4 111.555 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.606 ' HG2' HG13 ' A' ' 869' ' ' ILE . 11.4 ttp -118.28 123.71 46.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.723 -0.671 . . . . 2.38 110.142 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.719 ' HB ' HD23 ' A' ' 844' ' ' LEU . 1.7 mm -118.08 146.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 1.17 110.727 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.466 HD13 HG11 ' A' ' 863' ' ' VAL . 0.6 OUTLIER -100.29 115.7 30.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 1.99 110.675 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 840' ' ' LEU . 2.2 m -102.18 106.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.492 0.663 . . . . 1.67 109.783 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.861 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 15.5 t -120.48 133.5 66.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.836 -0.62 . . . . 1.56 111.697 -173.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -151.77 131.45 13.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.472 -0.936 . . . . 1.3 108.472 167.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -36.51 69.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.098 0.475 . . . . 2.03 110.372 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.34 163.33 20.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 2.8 109.933 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.76 -20.71 7.61 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 121.822 1.681 . . . . 1.39 113.663 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.466 ' H ' HG22 ' A' ' 835' ' ' ILE . 0.1 OUTLIER -70.27 -49.13 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 112.231 0.456 . . . . 2.71 112.231 -172.462 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 840' ' ' LEU . 5.1 t30 -83.47 -21.88 32.74 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.626 -0.509 . . . . 2.24 109.626 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.462 ' HA ' HD21 ' A' ' 840' ' ' LEU . 18.5 ttm180 -63.73 -50.98 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.843 -0.617 . . . . 3.21 110.4 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -65.6 -33.86 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 3.24 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -51.49 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 1.72 111.229 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -68.92 -30.92 69.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 1.99 111.074 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.9 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.237 -0.283 . . . . 1.25 110.237 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -70.6 -37.09 73.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 1.34 109.857 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 929' ' ' LEU . 0.4 OUTLIER -59.55 -46.52 88.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.51 -0.768 . . . . 2.07 110.1 175.109 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 827' ' ' ILE . 22.4 tp -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.81 110.657 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.89 -33.34 86.79 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.374 -0.69 . . . . 0.56 111.374 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 2.0 m -70.1 -30.74 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.921 -0.399 . . . . 1.03 109.921 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.73 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -66.79 -35.15 79.41 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.991 -0.55 . . . . 2.14 110.011 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.89 24.71 40.56 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.715 -0.675 . . . . 0.62 112.07 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -108.32 170.47 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.254 . . . . 1.67 110.964 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 5.3 tp-100 -66.23 122.75 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 2.92 110.492 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.422 ' HA ' HD22 ' A' ' 844' ' ' LEU . 2.4 m -102.91 108.08 19.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.833 0.349 . . . . 1.39 111.065 -178.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.73 116.47 29.19 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.377 -0.601 . . . . 1.95 109.377 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 137.55 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.378 0.51 . . . . 1.24 112.378 -173.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 830' ' ' VAL . . . -150.49 166.66 29.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 1.15 109.057 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.2 p-10 -143.8 72.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.233 -0.587 . . . . 2.4 112.049 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.931 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 42.3 t0 163.45 156.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 114.762 -1.108 . . . . 1.45 109.022 173.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.431 ' HA3' HD12 ' A' ' 886' ' ' LEU . . . -68.5 -43.62 76.55 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.366 -0.921 . . . . 0.66 111.275 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.63 -28.98 25.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.765 0.317 . . . . 1.55 110.552 178.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.931 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.4 t0 -53.85 -39.71 65.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.928 0.394 . . . . 0.84 110.57 174.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -60.3 -34.72 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 1.2 111.015 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 858' ' ' VAL . 6.6 mp -66.98 -45.98 76.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 2.43 110.38 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.09 -46.51 83.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.634 -0.712 . . . . 2.14 110.035 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.466 HG11 HD13 ' A' ' 828' ' ' LEU . 2.2 t -62.33 -37.59 79.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.967 -1.015 . . . . 1.53 110.501 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -68.36 -36.31 79.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 2.23 111.157 178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 18.6 m -67.33 -27.84 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.97 111.118 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 0.2 OUTLIER -88.56 -54.0 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 3.88 110.876 177.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 1.86 110.268 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -88.82 129.74 35.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 3.83 110.541 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.606 HG13 ' HG2' ' A' ' 826' ' ' MET . 1.0 OUTLIER -121.64 144.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.33 -0.618 . . . . 1.62 109.33 -179.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.437 ' N ' HG23 ' A' ' 869' ' ' ILE . 14.1 m-20 -63.68 -60.07 3.79 Favored 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.295 0.372 . . . . 1.64 111.242 -176.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.409 ' O ' HG21 ' A' ' 827' ' ' ILE . 0.0 OUTLIER -133.46 140.35 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 1.68 110.288 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 897' ' ' LEU . 55.9 t -114.75 124.63 71.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 121.06 -0.256 . . . . 1.3 111.39 -176.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.694 HD11 HG23 ' A' ' 827' ' ' ILE . 0.0 OUTLIER -111.48 109.53 19.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.401 -0.592 . . . . 1.46 109.401 173.408 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.861 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -118.98 118.57 31.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.753 0.311 . . . . 1.37 111.364 -176.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.467 ' CG ' ' HZ2' ' A' ' 925' ' ' LYS . 49.6 t0 -93.09 118.64 31.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.944 -0.571 . . . . 1.34 110.421 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 886' ' ' LEU . 8.9 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.501 -0.772 . . . . 1.82 110.597 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 1.055 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 5.2 p90 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.586 0.708 . . . . 3.02 112.603 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.536 ' C ' ' HD2' ' A' ' 885' ' ' ARG . 0.6 OUTLIER -55.51 -29.62 59.19 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 113.255 0.835 . . . . 3.74 113.255 -156.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.431 HD12 ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -70.29 -33.32 71.41 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.884 1.326 . . . . 2.82 108.359 -169.053 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 1.013 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -75.82 -26.67 57.43 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.237 -1.801 . . . . 1.55 109.984 177.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.09 -35.53 80.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.515 -0.55 . . . . 2.4 109.515 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.49 99.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.659 -0.701 . . . . 2.86 109.716 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 887' ' ' THR . 97.3 mt -55.71 -47.37 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.211 -0.45 . . . . 2.15 110.656 173.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -59.53 -43.32 93.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 2.75 111.338 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.78 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 3.05 111.026 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -73.56 -37.07 65.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 2.43 110.15 176.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.12 27.65 15.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.957 -0.639 . . . . 1.12 112.663 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -83.52 115.69 22.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.691 0.281 . . . . 3.34 110.488 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -81.65 51.44 1.69 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.193 0.997 . . . . 2.85 110.534 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 872' ' ' VAL . 2.6 tp -96.99 130.49 29.83 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.33 -0.85 . . . . 1.91 110.426 -176.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.34 106.87 2.02 Favored 'Trans proline' 0 C--O 1.242 0.701 0 C-N-CA 122.748 2.299 . . . . 1.09 112.107 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.869 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.6 t -106.66 116.56 50.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.52 0.676 . . . . 1.31 111.442 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.494 HD13 HD23 ' A' ' 873' ' ' LEU . 53.6 mt -88.91 98.28 7.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.175 -0.921 . . . . 1.28 108.552 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.41 7.07 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.599 -0.81 . . . . 0.51 113.414 -171.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 923' ' ' LEU . 0.1 OUTLIER -101.99 146.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.252 -1.018 . . . . 1.64 108.252 173.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 143.77 31.06 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.398 -0.521 . . . . 1.35 111.749 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -99.61 105.5 17.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.097 -0.501 . . . . 1.59 110.948 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 51.75 51.22 17.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.749 0.656 . . . . 3.03 112.133 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -97.64 97.54 9.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 2.81 109.663 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.38 144.91 44.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.43 -0.35 . . . . 4.33 111.249 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.64 32.23 16.39 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.746 -0.661 . . . . 2.52 111.793 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.49 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.4 OUTLIER -72.43 -18.1 61.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.123 -0.49 . . . . 3.31 111.342 -178.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -52.68 64.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 3.58 110.121 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -67.01 -37.48 84.26 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.01 -0.541 . . . . 2.7 110.625 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 1.055 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.6 mp0 -67.84 -29.33 68.44 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.239 -0.584 . . . . 3.07 109.981 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.477 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -65.41 -38.01 88.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 4.72 111.002 177.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.44 -32.94 73.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.638 -0.504 . . . . 2.18 109.638 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -48.26 53.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.708 -0.678 . . . . 2.39 112.15 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 1.013 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -75.7 -45.51 36.4 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 119.528 -0.869 . . . . 3.47 109.749 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.6 m 53.18 51.17 16.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.479 -0.782 . . . . 1.35 112.917 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.498 ' CA ' HG22 ' A' ' 887' ' ' THR . . . -136.4 -12.35 1.08 Allowed Glycine 0 C--N 1.32 -0.356 0 C-N-CA 119.817 -1.182 . . . . 1.02 113.181 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.869 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 mtt -83.34 -113.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.79 0.295 . . . . 2.46 110.93 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.66 ' HB2' ' O ' ' A' ' 919' ' ' MET . 3.6 t70 156.77 -57.65 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.629 1.171 . . . . 1.26 109.029 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.69 147.83 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.095 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 117.92 22.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 2.14 110.446 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -135.23 172.96 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 1.28 109.968 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.83 155.75 23.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.534 -0.303 . . . . 1.11 110.36 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.467 ' HZ2' ' CG ' ' A' ' 875' ' ' ASP . 1.5 tttp -44.84 -48.93 29.21 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.038 0.755 . . . . 1.69 113.038 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 34.9 Cg_endo -65.4 67.03 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.193 1.929 . . . . 1.33 112.856 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.26 164.46 2.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 1.94 110.348 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.8 169.44 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.635 -0.257 . . . . 1.48 110.523 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.529 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -61.33 -47.2 87.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.27 0.228 . . . . 1.47 111.423 -176.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -65.91 -42.21 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.039 0.447 . . . . 1.85 109.964 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.92 -47.45 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.713 -0.676 . . . . 1.51 111.0 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.8 OUTLIER -68.13 -31.86 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 1.69 110.772 -178.411 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 2.9 tmmt? -67.99 -36.29 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 2.36 110.212 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -61.53 -55.26 32.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 2.76 110.325 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.06 96.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.646 -0.252 . . . . 1.23 111.199 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.73 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.0 OUTLIER -55.06 -56.5 19.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.033 0.444 . . . . 1.41 110.895 178.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.5 m -70.05 -38.77 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.673 -0.694 . . . . 1.41 112.069 -174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -40.48 89.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 1.99 110.963 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.56 -25.79 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.547 -0.297 . . . . 1.99 110.353 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.06 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 1.22 110.339 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.9 -32.55 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 1.87 109.904 176.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.3 OUTLIER -68.99 -47.6 65.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.936 -0.575 . . . . 3.6 110.727 -178.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.564 ' O ' ' HG3' ' A' ' 947' ' ' ARG . 28.8 m -70.28 -30.1 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.91 -0.316 . . . . 1.3 110.262 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.28 -47.18 85.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 4.16 110.196 174.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 12.7 mttp -62.44 -33.69 75.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.232 0.539 . . . . 3.22 110.501 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.3 m -68.27 -34.19 75.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.803 -0.635 . . . . 1.34 110.989 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 943' ' ' VAL . 25.0 mtm180 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.013 0.435 . . . . 4.07 110.452 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.418 ' HB2' ' HE2' ' A' ' 825' ' ' MET . 5.7 ttm . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 2.4 111.063 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 1.3 ptp -95.94 109.6 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.637 -0.711 . . . . 2.38 110.438 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.2 mm -106.1 145.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.615 -0.72 . . . . 1.17 110.326 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.709 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.4 tp -100.99 107.49 18.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.89 0.376 . . . . 1.99 110.756 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.726 ' HB ' HD23 ' A' ' 840' ' ' LEU . 2.9 m -94.08 101.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.493 0.664 . . . . 1.67 109.756 177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.887 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.0 t -110.65 143.25 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.736 -0.666 . . . . 1.56 110.788 -176.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -153.06 147.09 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.827 -0.805 . . . . 1.3 108.827 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -20.9 66.57 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.443 0.465 . . . . 2.03 111.684 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.549 ' HB2' ' CD ' ' A' ' 834' ' ' PRO . 0.1 OUTLIER -131.54 -177.27 0.66 Allowed Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 109.763 -0.458 . . . . 2.8 109.763 175.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 4.6 Cg_exo -82.08 -28.44 2.0 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.064 1.843 . . . . 1.39 113.815 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.544 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.4 OUTLIER -62.94 -48.04 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 113.069 0.766 . . . . 2.71 113.069 -170.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.431 ' H ' HG23 ' A' ' 835' ' ' ILE . 28.9 t30 -83.01 -22.84 33.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.027 -0.669 . . . . 2.24 109.734 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.696 ' HG2' HG23 ' A' ' 853' ' ' THR . 0.0 OUTLIER -58.65 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.595 -0.73 . . . . 3.21 110.145 172.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -69.87 -29.75 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 3.24 110.935 -179.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -45.94 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 1.72 111.146 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.726 HD23 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -73.43 -32.26 64.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.685 0.279 . . . . 1.99 110.453 -178.776 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -27.09 63.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.148 0.499 . . . . 1.25 109.915 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 18.7 t0 -64.66 -46.33 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 1.34 109.843 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.589 ' HB3' HG23 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -62.86 -38.45 90.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.444 -0.798 . . . . 2.07 110.716 177.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 844' ' ' LEU . 8.4 tp -65.92 -31.38 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 1.81 110.374 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.33 -35.76 92.49 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.911 -0.586 . . . . 0.56 112.063 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -36.05 79.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 1.03 110.076 174.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 847' ' ' LEU . 1.1 mm? -64.87 -48.72 73.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 2.14 110.337 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.55 36.77 3.43 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.62 112.558 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -124.54 158.11 33.73 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.77 -0.253 . . . . 1.67 110.839 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.5 125.42 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 2.92 110.941 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.22 30.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.043 -0.526 . . . . 1.39 110.912 -177.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 118.62 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.403 -0.592 . . . . 1.95 109.403 174.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.696 HG23 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.83 112.92 24.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.057 0.456 . . . . 1.24 112.207 -171.138 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.444 ' O ' HG11 ' A' ' 830' ' ' VAL . . . -117.96 157.56 26.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 1.15 109.941 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.638 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.1 t-20 -131.43 71.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.48 -0.488 . . . . 2.4 112.062 -172.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.9 t70 160.04 162.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.557 1.143 . . . . 1.45 109.344 168.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.03 -40.34 83.9 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.673 -0.971 . . . . 0.66 110.673 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 20.4 m -74.01 -29.2 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 1.55 110.538 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.7 t0 -60.79 -31.29 70.67 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.84 110.862 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.24 85.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 1.2 110.295 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 890' ' ' ILE . 9.4 mp -71.14 -38.48 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 2.43 110.319 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -50.03 72.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.476 -0.784 . . . . 2.14 110.229 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -67.58 -35.83 74.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.53 110.562 -179.274 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -32.88 74.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.908 0.385 . . . . 2.23 110.731 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 71.5 m -68.36 -36.67 79.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.97 110.294 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -69.99 -46.44 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.88 110.811 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -144.91 135.7 24.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.231 -0.44 . . . . 1.86 110.341 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.95 97.27 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 3.83 111.118 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.8 OUTLIER -77.54 148.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 1.62 109.757 175.458 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.27 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 1.64 111.193 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 939' ' ' TYR . 4.3 mt -124.98 140.91 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.398 . . . . 1.68 110.383 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.932 HG22 HD12 ' A' ' 897' ' ' LEU . 77.9 t -113.99 131.61 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.564 0.221 . . . . 1.3 111.305 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -122.11 98.58 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.002 -0.74 . . . . 1.46 109.002 172.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.887 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -103.39 98.96 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.336 -0.393 . . . . 1.37 111.595 -176.045 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.727 ' HA ' HG23 ' A' ' 902' ' ' VAL . 44.9 t0 -71.39 117.03 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 1.34 110.374 170.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.193 0.52 . . . . 1.82 110.892 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.772 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.6 p90 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 122.554 1.169 . . . . 3.02 109.127 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.429 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.96 -24.61 66.22 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.671 -1.15 . . . . 3.74 112.738 -161.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -69.97 -37.17 75.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.009 0.909 . . . . 2.82 108.68 -171.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.532 ' HB ' ' CG ' ' A' ' 916' ' ' GLU . 21.5 m -71.85 -27.43 62.88 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.407 -1.269 . . . . 1.55 110.521 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 1.9 tt0 -58.1 -39.25 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.527 0.68 . . . . 2.4 109.774 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.494 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.27 -36.51 84.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.23 -0.895 . . . . 2.86 110.317 174.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 861' ' ' LEU . 71.5 mt -57.26 -50.53 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.52 -0.309 . . . . 2.15 111.389 177.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -71.02 -28.1 64.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.714 0.292 . . . . 2.75 111.223 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.432 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -74.0 -27.82 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.039 0.447 . . . . 3.05 110.514 178.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 53.2 tp -78.31 -21.99 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.941 -0.572 . . . . 2.43 109.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 77.76 58.67 3.2 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.009 -0.615 . . . . 1.12 112.589 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.496 HD12 HG21 ' A' ' 890' ' ' ILE . 11.7 mt -96.5 147.3 23.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.074 -0.343 . . . . 3.34 110.074 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 2.6 t -111.84 10.2 20.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.379 0.609 . . . . 2.85 110.833 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 872' ' ' VAL . 0.0 OUTLIER -89.0 152.14 47.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.824 -0.625 . . . . 1.91 110.424 -177.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 6.8 Cg_exo -74.64 118.87 5.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 123.018 2.479 . . . . 1.09 111.934 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.8 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 2.9 t -109.77 129.99 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 121.72 0.771 . . . . 1.31 111.365 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.757 HD11 HD22 ' A' ' 873' ' ' LEU . 0.4 OUTLIER -114.46 134.05 58.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.395 -0.821 . . . . 1.28 108.983 173.362 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -123.86 101.41 0.68 Allowed Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.677 -0.969 . . . . 0.51 110.677 -171.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.727 HG23 ' HA ' ' A' ' 875' ' ' ASP . 0.4 OUTLIER -87.15 131.49 34.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.763 -0.829 . . . . 1.64 108.763 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 2.6 p -132.43 167.58 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.697 0.284 . . . . 1.35 111.033 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . 0.433 ' HB1' ' HB2' ' A' ' 925' ' ' LYS . . . -128.9 123.18 31.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.59 111.356 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 36.0 t30 57.53 40.71 26.78 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.797 -0.638 . . . . 3.03 111.356 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -94.13 -33.74 13.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.179 -0.464 . . . . 2.81 110.271 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.46 -62.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.388 -0.824 . . . . 4.33 111.285 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 911' ' ' LYS . . . -90.77 55.78 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.45 0.643 . . . . 2.52 110.44 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.8 -35.94 79.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.596 -0.729 . . . . 3.31 110.562 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -26.27 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.482 -0.562 . . . . 3.58 109.482 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -70.18 -32.17 69.98 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.78 -0.646 . . . . 2.7 110.473 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.772 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -67.19 -42.77 83.63 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 119.141 -1.024 . . . . 3.07 108.879 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -52.65 -36.86 57.56 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.368 0.418 . . . . 4.72 111.17 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 69.4 m -76.06 -34.76 59.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.728 0.299 . . . . 2.18 111.182 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 1.2 tp -71.35 -52.94 15.95 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.136 0.421 . . . . 2.39 112.136 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.08 -43.34 24.34 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.6 0.238 . . . . 3.47 110.634 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 14.5 m 53.24 51.54 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.963 0.727 . . . . 1.35 112.963 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -141.83 11.43 2.63 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.051 -1.071 . . . . 1.02 112.3 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.8 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.1 OUTLIER -99.76 -104.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.607 0.241 . . . . 2.46 110.962 -175.188 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 919' ' ' MET . 41.1 t0 162.03 -55.11 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.634 1.174 . . . . 1.26 108.218 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 2.6 m -141.87 152.56 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.627 -0.715 . . . . 1.26 110.781 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 142.89 47.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.348 -0.387 . . . . 2.14 110.489 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 902' ' ' VAL . 1.7 mt -125.38 -175.41 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.357 . . . . 1.28 110.069 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 2.3 m -108.23 152.25 24.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.945 -0.571 . . . . 1.11 109.482 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.698 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 15.8 tttp -43.79 -60.96 2.21 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 113.778 1.029 . . . . 1.69 113.778 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 1.8 Cg_endo -83.23 70.78 6.45 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.942 1.761 . . . . 1.33 112.845 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.519 HG11 ' HB ' ' A' ' 931' ' ' VAL . 2.1 t -68.73 110.58 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 1.94 110.34 172.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.67 178.72 7.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.606 -0.27 . . . . 1.48 111.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -42.72 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 1.47 111.562 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . 0.443 ' OD1' HG23 ' A' ' 931' ' ' VAL . 0.3 OUTLIER -62.38 -56.05 22.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.585 -0.28 . . . . 1.85 110.861 -177.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . 0.519 ' HB ' HG11 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -61.54 -36.44 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.669 -0.241 . . . . 1.51 111.316 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.589 HG23 ' HB3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -64.41 -39.57 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.619 0.247 . . . . 1.69 110.409 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.434 ' HG2' HD23 ' A' ' 847' ' ' LEU . 0.0 OUTLIER -68.96 -39.18 79.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.277 -0.268 . . . . 2.36 110.277 177.104 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -58.88 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 2.76 110.615 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -69.39 -41.99 75.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.801 -0.636 . . . . 1.23 111.693 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -63.7 -47.14 82.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.436 0.16 . . . . 1.41 110.967 -178.241 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.6 m -65.79 -43.56 88.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.534 -0.303 . . . . 1.41 111.223 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.3 86.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 1.99 111.132 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.405 ' HB3' HD11 ' A' ' 871' ' ' ILE . 4.0 m-85 -77.67 -34.64 52.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.5 -0.318 . . . . 1.99 111.212 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 936' ' ' LEU . . . -61.56 -46.76 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 1.22 110.671 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.8 OUTLIER -68.36 -33.21 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.339 -0.391 . . . . 1.87 110.308 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -65.06 -48.68 72.94 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.448 -0.342 . . . . 3.6 110.868 -179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 20.1 m -67.61 -30.53 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.731 -0.388 . . . . 1.3 110.664 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -67.77 -50.85 54.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.395 . . . . 4.16 110.965 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -25.19 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.868 0.322 . . . . 3.22 111.868 -175.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 7.8 m -82.9 -17.88 42.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 1.34 110.403 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 14.2 mtt85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 4.07 110.102 175.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.874 0.368 . . . . 2.4 110.242 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.469 ' HB3' ' HE2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -92.85 111.79 23.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.891 -0.595 . . . . 2.38 109.815 178.064 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 827' ' ' ILE . 0.1 OUTLIER -108.5 140.45 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.235 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 863' ' ' VAL . 3.0 mt -94.21 103.75 15.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 1.99 109.869 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.74 ' HB ' ' CD1' ' A' ' 840' ' ' LEU . 2.4 m -97.93 94.79 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.385 -0.825 . . . . 1.67 109.635 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 6.0 t -103.06 143.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.401 -0.818 . . . . 1.56 110.094 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.755 ' HB3' ' HG3' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -158.9 143.87 16.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.611 -0.514 . . . . 1.3 109.611 175.138 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . 0.531 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -90.24 -21.18 22.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.033 0.383 . . . . 2.03 112.033 -176.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.34 92.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 2.8 109.795 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 837' ' ' ARG . 96.2 Cg_exo -44.23 -22.61 0.56 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 125.001 3.8 . . . . 1.39 116.16 -165.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -56.69 -37.63 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.269 0.557 . . . . 2.71 110.211 176.139 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.99 -36.26 30.94 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.731 -0.388 . . . . 2.24 110.044 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.755 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 2.3 ttp180 -54.21 -44.17 71.4 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.369 0.418 . . . . 3.21 111.375 176.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.23 -33.36 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 3.24 110.456 178.293 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.67 -50.35 69.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.217 -0.447 . . . . 1.72 111.046 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.74 ' CD1' ' HB ' ' A' ' 829' ' ' VAL . 1.5 pp -69.23 -26.96 65.06 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 110.378 -0.231 . . . . 1.99 110.378 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.15 87.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.602 0.715 . . . . 1.25 109.399 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.09 -49.14 20.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.857 -1.065 . . . . 1.34 110.947 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -52.34 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 2.07 111.682 -176.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.569 HD21 HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -61.78 -38.62 88.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.025 0.44 . . . . 1.81 110.251 176.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -59.41 -34.81 82.53 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.743 -0.662 . . . . 0.56 112.72 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 34.4 m -70.94 -25.82 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.962 0.411 . . . . 1.03 110.507 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.569 HD12 HD21 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -72.06 -17.87 61.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 2.14 110.421 176.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.0 9.6 80.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.849 -0.614 . . . . 0.62 112.656 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.38 160.41 14.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.814 0.34 . . . . 1.67 111.194 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 30.6 mt-30 -74.02 110.15 8.09 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.126 -0.488 . . . . 2.92 110.222 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 109.59 20.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.498 -0.319 . . . . 1.39 110.596 -179.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' A' ' 826' ' ' MET . 2.5 mptt -101.38 109.49 21.33 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.673 -0.862 . . . . 1.95 108.673 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.61 133.76 34.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.132 0.491 . . . . 1.24 111.764 -171.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.596 ' HB1' HG11 ' A' ' 830' ' ' VAL . . . -139.51 172.45 12.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.605 -0.725 . . . . 1.15 109.763 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.659 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 38.0 t30 -149.33 74.5 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.001 -0.28 . . . . 2.4 111.207 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 0.7 OUTLIER 161.38 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.275 0.984 . . . . 1.45 109.471 169.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -71.78 -40.15 58.64 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.302 -0.951 . . . . 0.66 111.06 172.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.466 ' HA ' HD22 ' A' ' 861' ' ' LEU . 27.0 m -73.93 -29.33 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.709 0.29 . . . . 1.55 110.742 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.557 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 36.9 t0 -56.27 -36.44 68.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.305 -0.407 . . . . 0.84 110.26 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.32 90.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.645 -0.707 . . . . 1.2 110.892 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.934 HD11 HG13 ' A' ' 890' ' ' ILE . 1.7 mm? -59.61 -46.15 89.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.335 0.588 . . . . 2.43 110.358 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 -52.14 65.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.998 -1.001 . . . . 2.14 111.315 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.643 HG13 HD23 ' A' ' 828' ' ' LEU . 7.7 p -69.7 -32.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.601 -0.272 . . . . 1.53 111.433 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.4 HD22 ' HB ' ' A' ' 869' ' ' ILE . 5.3 mt -65.8 -32.07 73.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.002 0.429 . . . . 2.23 110.976 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.0 m -80.17 -27.54 38.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 0.97 110.756 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -55.8 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 3.88 111.185 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -122.27 159.35 27.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.713 -0.477 . . . . 1.86 109.713 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -87.9 132.86 34.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.478 -0.489 . . . . 3.83 111.017 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.44 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.7 mp -132.26 142.26 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.184 -0.916 . . . . 1.62 109.423 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -82.66 -52.04 7.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.008 0.373 . . . . 1.64 112.008 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 142.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 1.68 110.594 -178.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.571 HG22 HD12 ' A' ' 828' ' ' LEU . 77.9 t -119.5 132.18 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.8 -0.36 . . . . 1.3 111.101 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 900' ' ' ILE . 0.3 OUTLIER -129.15 120.25 25.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.87 -0.419 . . . . 1.46 109.87 173.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.598 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.4 p -109.48 109.75 20.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.469 -0.332 . . . . 1.37 110.814 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.764 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -86.24 110.2 19.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.81 -0.632 . . . . 1.34 109.95 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.949 -0.569 . . . . 1.82 110.845 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.873 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 10.5 p90 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 113.586 0.958 . . . . 3.02 113.586 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.495 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.73 -26.85 47.46 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.329 -0.851 . . . . 3.74 112.919 -164.134 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.318 1.056 . . . . 2.82 109.177 -172.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.973 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 90.8 m -77.65 -26.82 50.74 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.423 -1.262 . . . . 1.55 108.922 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.856 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 1.4 tm0? -59.12 -40.48 85.53 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.127 -0.694 . . . . 2.4 109.127 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.78 91.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.711 -0.677 . . . . 2.86 110.918 174.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.934 HG13 HD11 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -62.07 -32.33 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.16 0.505 . . . . 2.15 110.711 176.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -75.06 -32.01 61.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.052 -0.522 . . . . 2.75 110.733 178.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 888' ' ' GLN . 20.2 mm100 -67.35 -27.93 67.54 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.126 0.489 . . . . 3.05 110.185 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -48.94 62.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 2.43 109.543 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.03 60.33 0.97 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.872 -0.68 . . . . 1.12 112.034 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.667 HD11 ' HG ' ' A' ' 897' ' ' LEU . 1.3 pt? -89.67 147.88 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.129 0.49 . . . . 3.34 111.027 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -34.55 18.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.647 -0.706 . . . . 2.85 111.761 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.667 ' HG ' HD11 ' A' ' 895' ' ' LEU . 0.8 OUTLIER -77.52 157.21 80.34 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.609 -0.723 . . . . 1.91 111.837 -171.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 148.38 23.51 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 123.287 2.658 . . . . 1.09 113.367 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 80.4 t -119.59 128.58 75.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.285 -0.871 . . . . 1.31 110.648 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 873' ' ' LEU . 0.8 OUTLIER -100.41 105.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.622 -0.717 . . . . 1.28 109.717 176.839 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.599 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -88.36 101.04 2.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.898 -0.668 . . . . 0.51 112.454 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.764 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.1 t -76.38 122.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.737 -0.838 . . . . 1.64 108.737 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 35.7 p -128.47 153.47 47.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.788 0.328 . . . . 1.35 111.491 -171.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.99 110.27 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.355 -0.384 . . . . 1.59 111.643 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.81 56.36 1.13 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.495 0.554 . . . . 3.03 112.495 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.712 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -108.02 -28.19 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.853 0.358 . . . . 2.81 110.583 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.9 mt 64.03 18.76 11.41 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.563 -0.744 . . . . 4.33 111.443 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.05 29.11 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 2.52 109.274 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.712 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 51.0 mp0 -60.06 -53.06 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.888 . . . . 3.31 111.23 -175.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -63.59 -35.66 81.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 3.58 110.41 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.7 110.97 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.873 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 2.2 mt-30 -70.33 -39.44 74.74 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.056 -0.72 . . . . 3.07 109.056 176.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.46 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -62.13 -26.94 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 4.72 110.535 178.019 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 40.0 m -74.97 -43.6 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 2.18 110.373 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -52.8 22.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.869 -0.605 . . . . 2.39 111.598 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.973 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.26 -38.34 35.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 3.47 110.817 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.3 m 52.27 52.59 13.96 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.002 1.112 . . . . 1.35 114.002 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.02 1.83 8.42 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 119.636 -1.269 . . . . 1.02 111.957 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.866 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 4.7 mtm -92.04 -124.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 2.46 111.833 -173.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.505 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.7 t70 171.0 -55.22 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.804 -1.089 . . . . 1.26 108.179 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 157.56 44.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.372 -0.831 . . . . 1.26 109.787 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 81.6 m -121.43 146.35 46.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.74 0.305 . . . . 2.14 110.513 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 76.9 mt -131.0 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.28 110.442 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.86 144.54 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.89 -0.411 . . . . 1.11 109.89 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.536 ' O ' HG23 ' A' ' 927' ' ' VAL . 2.4 ttmm -50.22 -42.23 71.26 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 113.546 0.943 . . . . 1.69 113.546 -176.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.5 Cg_endo -65.88 61.18 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.028 1.819 . . . . 1.33 113.476 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 925' ' ' LYS . 0.1 OUTLIER -85.96 79.5 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 1.94 110.617 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.47 174.04 7.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.993 -0.549 . . . . 1.48 110.53 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 929' ' ' LEU . 0.5 OUTLIER -53.01 -38.57 62.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.684 0.278 . . . . 1.47 111.426 -177.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 9.8 t70 -63.29 -56.74 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.068 0.461 . . . . 1.85 110.368 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 29.2 t -66.0 -42.76 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.428 -0.806 . . . . 1.51 111.391 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.2 tt -64.54 -31.07 52.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.69 111.021 -177.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.519 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -75.04 -32.57 61.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.12 -0.232 . . . . 2.36 110.731 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 66.3 mt-30 -55.59 -55.71 28.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.421 0.629 . . . . 2.76 109.916 174.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 935' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -69.83 -41.43 74.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.33 -0.85 . . . . 1.23 111.88 -177.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.83 -0.168 . . . . 1.41 111.303 -177.435 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 70.6 m -62.64 -44.46 96.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.581 0.229 . . . . 1.41 111.316 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 938' ' ' LEU . 0.3 OUTLIER -65.63 -40.72 92.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.053 0.454 . . . . 1.99 110.936 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.3 OUTLIER -71.28 -41.81 69.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.183 -0.462 . . . . 1.99 111.514 -177.021 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -61.32 -40.58 94.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 1.22 110.814 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.21 -38.73 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 1.87 110.192 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -63.13 -48.07 80.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 3.6 110.818 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.27 -30.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.566 -0.288 . . . . 1.3 110.294 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -57.5 -45.06 85.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.058 0.456 . . . . 4.16 109.932 175.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -70.47 -44.06 68.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.619 -0.719 . . . . 3.22 110.807 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -60.07 -39.78 87.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.024 0.44 . . . . 1.34 111.47 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.407 . . . . 4.07 110.966 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 26.5 mtp . . . . . 0 C--O 1.24 0.554 0 CA-C-O 121.618 0.723 . . . . 2.4 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.9 ptp -109.81 133.17 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.282 -0.872 . . . . 2.38 110.292 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 1.052 ' HB ' HD23 ' A' ' 844' ' ' LEU . 3.9 mm -121.2 143.42 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.323 0.583 . . . . 1.17 110.531 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.648 HD11 HG12 ' A' ' 863' ' ' VAL . 0.1 OUTLIER -94.76 118.04 31.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.592 -0.731 . . . . 1.99 110.484 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.69 HG12 HD21 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -106.62 98.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.29 0.567 . . . . 1.67 109.787 177.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.624 HG22 ' HB1' ' A' ' 854' ' ' ALA . 19.7 t -109.36 137.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.718 -0.674 . . . . 1.56 110.474 -177.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.505 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 6.5 t0 -144.68 130.93 19.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.106 -0.702 . . . . 1.3 109.106 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.01 -13.19 61.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.044 0.449 . . . . 2.03 111.13 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.539 ' HB3' ' CD ' ' A' ' 834' ' ' PRO . 47.3 m170 -116.34 -176.08 0.35 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.387 -0.598 . . . . 2.8 109.387 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.539 ' CD ' ' HB3' ' A' ' 833' ' ' HIS . 84.8 Cg_endo -94.69 -32.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.643 1.562 . . . . 1.39 114.646 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 1.4 pt -69.22 -42.59 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.272 0.471 . . . . 2.71 112.272 -171.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.525 ' ND2' ' HZ2' ' A' ' 925' ' ' LYS . 0.5 OUTLIER -78.01 -22.7 48.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.779 -0.452 . . . . 2.24 109.779 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.426 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 8.2 ttm180 -63.14 -52.58 61.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.266 -0.425 . . . . 3.21 110.545 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.1 OUTLIER -66.28 -30.22 70.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.522 -0.308 . . . . 3.24 110.85 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.84 53.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 1.72 111.015 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.749 HD11 HD11 ' A' ' 932' ' ' ILE . 15.1 tp -66.92 -46.37 75.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.847 -0.615 . . . . 1.99 110.922 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.66 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 1.25 110.733 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 5.4 t0 -66.25 -46.68 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.34 110.04 176.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.806 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.7 OUTLIER -57.96 -48.36 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.575 -0.739 . . . . 2.07 110.522 177.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 1.052 HD23 ' HB ' ' A' ' 827' ' ' ILE . 13.7 tp -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.805 -0.634 . . . . 1.81 111.155 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -69.12 -21.76 75.73 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.816 -0.707 . . . . 0.56 112.127 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 49.5 m -82.97 -19.5 36.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.423 0.154 . . . . 1.03 111.354 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.2 pp -96.49 -10.71 26.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.432 -0.507 . . . . 2.14 110.623 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.72 28.8 13.11 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.782 -0.723 . . . . 0.62 114.198 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . 0.414 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 1.1 m-30 -111.63 155.87 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.613 0.707 . . . . 1.67 110.914 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 850' ' ' GLN . 2.4 mp0 -65.79 112.3 3.66 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.99 -0.55 . . . . 2.92 111.013 -175.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.735 ' HA ' HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.46 105.47 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.206 -0.452 . . . . 1.39 111.648 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.4 115.07 27.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.569 -0.53 . . . . 1.95 109.569 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.426 HG21 HG21 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -91.99 136.99 32.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.646 0.61 . . . . 1.24 112.646 -172.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.624 ' HB1' HG22 ' A' ' 830' ' ' VAL . . . -150.8 165.25 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.707 -0.849 . . . . 1.15 108.707 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.6 p-10 -136.1 72.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.031 -0.668 . . . . 2.4 112.2 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.764 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 34.1 t0 162.83 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.008 -0.997 . . . . 1.45 109.385 171.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.976 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.03 -43.36 93.63 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.357 -0.925 . . . . 0.66 111.288 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -74.3 -28.74 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.91 -0.171 . . . . 1.55 110.641 177.644 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.764 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 24.6 t0 -56.1 -40.81 74.23 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.7 -0.482 . . . . 0.84 109.7 172.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 864' ' ' LEU . . . -56.98 -47.33 81.04 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.684 -0.689 . . . . 1.2 110.274 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.458 HD23 HG12 ' A' ' 890' ' ' ILE . 3.5 mm? -56.47 -39.37 73.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.072 -0.513 . . . . 2.43 111.047 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -63.6 -50.23 70.24 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.949 -0.569 . . . . 2.14 110.661 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.648 HG12 HD11 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -34.23 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.818 -0.628 . . . . 1.53 110.721 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 860' ' ' ALA . 75.3 mt -69.07 -32.05 71.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.988 0.423 . . . . 2.23 110.753 177.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 47.5 m -64.55 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.97 110.249 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -83.49 -59.48 2.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 3.88 110.269 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 36.9 t30 -125.47 138.41 53.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.817 -0.629 . . . . 1.86 109.899 -174.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -57.5 -53.75 54.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 3.83 112.349 -174.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.541 HG21 ' N ' ' A' ' 870' ' ' ASP . 8.2 mm 66.36 149.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 123.316 0.385 . . . . 1.62 110.329 -173.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.541 ' N ' HG21 ' A' ' 869' ' ' ILE . 0.2 OUTLIER -92.04 -64.77 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.785 -0.572 . . . . 1.64 111.302 -176.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.597 ' HB ' HG22 ' A' ' 827' ' ' ILE . 9.1 mm -110.99 136.73 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.245 -0.434 . . . . 1.68 110.015 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 897' ' ' LEU . 63.5 t -118.83 127.53 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.957 -0.297 . . . . 1.3 111.211 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -119.55 102.3 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.749 -0.463 . . . . 1.46 109.749 174.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.571 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -99.65 106.63 18.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.223 -0.444 . . . . 1.37 110.782 -178.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.732 ' HA ' HG12 ' A' ' 902' ' ' VAL . 45.0 t0 -84.48 132.52 34.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.746 . . . . 1.34 111.418 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 1.82 110.395 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.743 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 4.6 p90 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.147 0.499 . . . . 3.02 111.381 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -58.2 -27.83 64.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.65 0.738 . . . . 3.74 111.39 -165.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.976 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -72.6 -28.63 62.9 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.219 -0.9 . . . . 2.82 109.475 -174.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.869 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 22.4 m -76.33 -27.45 56.51 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 114.642 -1.163 . . . . 1.55 108.798 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.761 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 31.7 tt0 -63.16 -37.36 86.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.497 -0.774 . . . . 2.4 109.252 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -39.83 93.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.578 -0.737 . . . . 2.86 110.256 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.485 HG22 ' HB3' ' A' ' 895' ' ' LEU . 0.4 OUTLIER -60.69 -38.53 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.868 0.365 . . . . 2.15 110.781 176.523 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.79 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -74.81 -30.63 61.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 2.75 110.766 -179.041 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.73 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 3.05 110.928 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -30.04 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 2.43 110.643 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.92 71.56 0.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.003 -0.839 . . . . 1.12 111.003 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 891' ' ' ARG . 1.2 pt? -66.67 126.63 29.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.439 0.638 . . . . 3.34 111.881 -173.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 47.77 1.44 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.404 -0.816 . . . . 2.85 109.444 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.428 ' CD1' HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -168.91 143.22 2.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.135 -0.938 . . . . 1.91 109.758 -173.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 7.3 Cg_exo -73.41 124.27 9.28 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.699 2.266 . . . . 1.09 111.612 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.877 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 16.1 t -99.87 109.77 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.609 0.719 . . . . 1.31 110.635 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 923' ' ' LEU . 0.7 OUTLIER -94.19 108.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.626 -0.716 . . . . 1.28 109.485 176.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.564 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -91.96 101.85 2.85 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 111.177 -0.769 . . . . 0.51 111.177 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.946 HG21 ' HB2' ' A' ' 923' ' ' LEU . 3.7 p -99.06 129.1 49.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.804 -0.813 . . . . 1.64 108.804 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.3 p -143.59 162.85 34.81 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.362 -0.535 . . . . 1.35 112.186 -168.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -87.44 128.77 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.618 -0.719 . . . . 1.59 109.182 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -58.87 111.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.569 0.543 . . . . 3.03 111.526 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -120.91 -7.06 9.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 2.81 110.444 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 67.74 30.31 6.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.443 -0.799 . . . . 4.33 111.849 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -135.86 -12.56 1.97 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.825 0.822 . . . . 2.52 110.067 175.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -69.5 -19.97 63.72 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.034 -0.985 . . . . 3.31 111.901 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -66.43 -50.89 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.118 -0.327 . . . . 3.58 110.118 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -30.7 69.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.486 . . . . 2.7 110.733 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -72.49 -36.55 68.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.4 -0.52 . . . . 3.07 110.566 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.636 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 4.3 ttm180 -68.05 -27.96 66.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.494 . . . . 4.72 110.163 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.75 -33.42 70.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.028 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.96 -53.23 13.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.971 -0.559 . . . . 2.39 112.021 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.869 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -78.64 -43.69 25.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.686 -0.405 . . . . 3.47 111.002 -176.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.9 m 45.51 52.2 9.3 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.979 1.103 . . . . 1.35 113.979 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.14 -0.32 8.15 Favored Glycine 0 C--N 1.316 -0.531 0 C-N-CA 119.728 -1.225 . . . . 1.02 112.353 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.877 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 7.0 mtt -75.21 -112.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.288 0.477 . . . . 2.46 112.288 -172.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.5 t70 163.27 -51.91 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 114.875 -1.057 . . . . 1.26 108.399 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.78 166.56 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.48 -0.782 . . . . 1.26 110.325 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.17 129.51 33.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.527 -0.306 . . . . 2.14 110.294 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.946 ' HB2' HG21 ' A' ' 902' ' ' VAL . 0.5 OUTLIER -126.95 -174.49 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.162 -0.472 . . . . 1.28 110.193 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 1.6 m -117.96 138.18 52.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.353 -0.385 . . . . 1.11 110.152 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.525 ' HZ2' ' ND2' ' A' ' 836' ' ' ASN . 2.1 ttmm -30.03 -54.34 0.34 Allowed Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 114.773 1.397 . . . . 1.69 114.773 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 53.2 Cg_endo -70.45 69.0 2.06 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.678 1.585 . . . . 1.33 113.56 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 931' ' ' VAL . 0.2 OUTLIER -80.81 102.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 1.94 110.299 174.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.41 -179.66 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 1.48 111.415 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.806 HD22 ' HG3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -59.11 -47.03 86.77 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.241 0.46 . . . . 1.47 112.241 -173.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -37.63 54.84 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.872 -0.331 . . . . 1.85 110.82 -175.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 927' ' ' VAL . 88.8 t -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.51 110.449 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.749 HD11 HD11 ' A' ' 840' ' ' LEU . 2.3 tt -68.6 -28.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.69 110.508 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.472 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -70.47 -48.2 56.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.605 -0.27 . . . . 2.36 111.437 -177.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.29 87.98 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.487 -0.485 . . . . 2.76 110.444 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -48.5 72.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.612 0.244 . . . . 1.23 111.009 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 940' ' ' ALA . 0.2 OUTLIER -59.54 -49.64 76.98 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.181 -0.463 . . . . 1.41 110.461 179.181 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 68.6 m -63.01 -44.18 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 1.41 111.564 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.85 80.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 1.99 110.951 -178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.82 -26.5 59.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 1.99 111.346 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 936' ' ' LEU . . . -62.67 -51.26 67.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.084 -0.339 . . . . 1.22 110.084 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 1.87 110.223 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -47.77 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.489 -0.323 . . . . 3.6 111.003 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.29 -30.18 38.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 121.017 -0.273 . . . . 1.3 110.928 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -67.8 -37.2 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.516 -0.55 . . . . 4.16 109.516 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 9.6 mtmt -65.1 -44.87 87.38 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.526 . . . . 3.22 110.365 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 8.5 m -63.03 -27.75 69.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.076 0.465 . . . . 1.34 111.023 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 4.07 111.592 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.96 0.409 . . . . 2.4 111.459 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.0 mtt -102.47 117.68 35.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 2.38 110.318 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -108.88 133.66 53.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.891 -0.595 . . . . 1.17 110.198 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.948 ' HB2' HG22 ' A' ' 869' ' ' ILE . 55.1 tp -99.43 115.57 29.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.998 -0.546 . . . . 1.99 110.47 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.841 ' HB ' HD23 ' A' ' 840' ' ' LEU . 3.6 m -101.7 95.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.433 0.635 . . . . 1.67 109.953 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.597 HG12 ' HB1' ' A' ' 854' ' ' ALA . 0.2 OUTLIER -106.56 81.84 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.897 -0.592 . . . . 1.56 111.91 -172.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 23.1 t0 -113.37 128.21 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.732 -0.387 . . . . 1.3 110.022 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 28.8 t70 -65.34 -35.25 80.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 2.03 111.835 -178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -92.28 122.13 65.28 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 2.8 110.735 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.95 -53.12 7.09 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.714 2.943 . . . . 1.39 114.478 -174.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -29.73 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.012 0.434 . . . . 2.71 111.114 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.455 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 11.9 m120 -79.4 -32.76 43.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.653 -0.499 . . . . 2.24 109.653 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.29 -53.17 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 3.21 110.54 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.0 OUTLIER -64.5 -27.77 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 3.24 110.611 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.432 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 4.9 mt -70.55 -52.07 24.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 1.72 111.003 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.841 HD23 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -66.75 -31.23 71.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 1.99 110.494 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.22 60.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.153 -0.476 . . . . 1.25 110.63 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 4.1 t70 -71.85 -44.31 64.04 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.398 -0.593 . . . . 1.34 109.398 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.745 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -61.62 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.366 -0.834 . . . . 2.07 109.988 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.65 90.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.65 -0.704 . . . . 1.81 110.363 176.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.39 77.38 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.554 -0.748 . . . . 0.56 112.431 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.3 m -68.3 -28.35 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.999 0.428 . . . . 1.03 109.946 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.407 HD23 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -72.32 -44.91 61.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 2.14 110.161 174.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.21 21.57 22.27 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.699 -0.762 . . . . 0.62 112.352 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -98.58 169.15 9.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.708 0.29 . . . . 1.67 110.979 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -66.95 123.46 20.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 2.92 110.126 178.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 123.54 45.45 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.521 -0.309 . . . . 1.39 110.64 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 124.67 51.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.417 -0.586 . . . . 1.95 109.417 175.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.43 141.9 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 1.24 112.088 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 830' ' ' VAL . . . -158.24 178.12 10.53 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.767 -0.827 . . . . 1.15 108.767 176.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.8 OUTLIER -159.46 74.25 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.16 -0.616 . . . . 2.4 112.337 -176.108 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 21.8 t70 164.98 152.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.887 0.742 . . . . 1.45 110.187 174.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.611 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -63.79 -47.95 81.39 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.015 -0.612 . . . . 0.66 112.438 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 2.3 m -74.24 -30.39 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 120.76 0.314 . . . . 1.55 110.576 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 31.7 t0 -64.22 -32.35 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.049 0.452 . . . . 0.84 110.107 176.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.436 ' O ' HG13 ' A' ' 863' ' ' VAL . . . -62.25 -47.04 86.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 1.2 111.357 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.621 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.8 OUTLIER -74.2 -28.24 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.662 0.267 . . . . 2.43 110.551 178.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.4 -55.31 32.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.873 -0.603 . . . . 2.14 110.298 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 860' ' ' ALA . 14.8 p -66.12 -30.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 1.53 110.115 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 872' ' ' VAL . 1.2 mt -61.13 -32.59 72.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 2.23 111.089 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 37.5 m -82.88 -19.53 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.331 -0.395 . . . . 0.97 110.996 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 4.93 31.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.308 . . . . 3.88 111.82 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -168.69 140.37 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.144 -0.317 . . . . 1.86 110.144 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -74.88 106.5 6.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.291 . . . . 3.83 110.922 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.948 HG22 ' HB2' ' A' ' 828' ' ' LEU . 2.2 mt -113.1 141.87 27.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.269 -0.641 . . . . 1.62 109.269 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.32 -54.22 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.95 0.405 . . . . 1.64 111.169 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 871' ' ' ILE . 18.2 mm -105.7 121.5 58.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.043 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 864' ' ' LEU . 62.6 t -113.94 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.646 -0.421 . . . . 1.3 111.259 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.45 108.07 13.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 1.46 110.203 177.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.17 108.19 20.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.303 0.573 . . . . 1.37 110.528 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.568 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 3.8 t0 -90.36 106.53 18.55 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.386 -0.825 . . . . 1.34 110.278 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 876' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 115.242 -0.89 . . . . 1.82 111.294 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 1.045 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 3.0 p90 . . . . . 0 CA--C 1.516 -0.335 0 CA-C-O 121.695 0.759 . . . . 3.02 111.465 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.505 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.44 -25.38 59.55 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.437 -0.801 . . . . 3.74 112.276 -161.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.611 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.6 OUTLIER -65.6 -36.5 83.92 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.993 0.901 . . . . 2.82 108.609 -171.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.571 HG23 HG23 ' A' ' 890' ' ' ILE . 6.8 m -78.52 -28.53 46.22 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.216 -1.357 . . . . 1.55 110.358 177.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.453 ' HG2' ' HD3' ' A' ' 885' ' ' ARG . 2.1 tp60 -60.93 -40.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.181 0.515 . . . . 2.4 109.645 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -35.45 73.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.043 -0.526 . . . . 2.86 110.677 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.621 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -65.51 -31.73 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.146 0.498 . . . . 2.15 110.499 175.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -40.3 73.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 2.75 110.111 177.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 3.05 110.649 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -36.01 74.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.846 -0.615 . . . . 2.43 110.903 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 109.81 81.54 1.26 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.921 -0.657 . . . . 1.12 111.736 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 918' ' ' GLY . 0.5 OUTLIER -84.65 148.3 26.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.539 . . . . 3.34 111.423 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.54 39.32 0.88 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 2.85 109.337 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.538 HD12 HG23 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -150.65 162.23 27.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.553 -0.749 . . . . 1.91 110.317 -173.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.94 118.04 5.39 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.6 2.2 . . . . 1.09 112.67 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.844 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 35.9 t -104.9 118.76 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.428 0.632 . . . . 1.31 110.299 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 1.5 mp -111.34 111.08 34.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.619 -0.719 . . . . 1.28 110.064 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.44 113.34 4.54 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.563 -0.827 . . . . 0.51 112.019 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -87.03 98.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.03 -0.73 . . . . 1.64 109.03 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 126.24 52.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.738 -0.665 . . . . 1.35 112.032 -171.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 905' ' ' ASN . . . -78.12 134.68 37.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 1.59 109.202 171.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 904' ' ' ALA . 48.6 t30 76.13 -50.77 0.61 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.195 0.598 . . . . 3.03 111.174 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 65.45 -89.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.116 0.567 . . . . 2.81 111.127 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.02 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.751 0.657 . . . . 4.33 111.869 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.32 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.885 0.474 . . . . 2.52 111.143 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.41 ' HB3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER 35.98 -111.47 0.07 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.518 1.136 . . . . 3.31 113.82 168.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 5.2 mt-10 -60.88 -34.12 74.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.37 -0.832 . . . . 3.58 112.064 -172.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.605 ' HE2' HD13 ' A' ' 915' ' ' LEU . 0.1 OUTLIER -68.63 -46.74 68.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.606 -0.438 . . . . 2.7 110.7 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 1.045 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.69 -29.17 58.92 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.002 -1.079 . . . . 3.07 109.879 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.49 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 10.1 ttm180 -62.01 -35.14 77.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.034 0.445 . . . . 4.72 110.323 174.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 -26.55 61.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.76 -0.459 . . . . 2.18 109.76 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.605 HD13 ' HE2' ' A' ' 911' ' ' LYS . 0.3 OUTLIER -69.34 -51.45 36.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.687 -0.688 . . . . 2.39 111.313 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.88 -36.45 59.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.982 0.42 . . . . 3.47 110.5 178.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.73 49.37 20.47 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.401 0.889 . . . . 1.35 113.401 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.513 ' O ' HD12 ' A' ' 895' ' ' LEU . . . -147.92 6.8 1.02 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 119.56 -1.305 . . . . 1.02 113.613 175.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.844 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.6 OUTLIER -82.39 -117.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.844 0.355 . . . . 2.46 111.778 -173.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 919' ' ' MET . 15.1 t0 167.13 -57.21 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.409 -0.96 . . . . 1.26 108.409 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 921' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 900' ' ' ILE . 45.4 m -150.24 134.4 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.726 -0.67 . . . . 1.26 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.14 138.22 47.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 2.14 109.947 175.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -175.13 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.41 -0.359 . . . . 1.28 110.218 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.24 151.77 20.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.995 -0.548 . . . . 1.11 109.942 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.559 ' HZ1' ' CG ' ' A' ' 875' ' ' ASP . 2.5 tptp -51.87 -48.55 87.53 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.997 0.74 . . . . 1.69 112.997 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.0 Cg_endo -72.02 63.02 3.31 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.037 1.824 . . . . 1.33 113.533 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.86 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 1.94 110.009 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.7 171.94 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 1.48 111.293 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.9 OUTLIER -56.91 -34.74 68.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.997 -0.547 . . . . 1.47 110.724 177.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -50.6 61.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.85 110.305 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.89 -46.76 93.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 1.51 110.757 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.745 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.3 OUTLIER -65.05 -27.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.184 -0.462 . . . . 1.69 111.434 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -48.64 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.207 -0.197 . . . . 2.36 111.236 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.84 -35.29 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 2.76 110.49 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 96.2 m -65.32 -46.67 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.691 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -62.29 -45.29 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 1.41 110.81 178.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 8.0 m -62.63 -42.39 99.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 1.41 111.27 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -42.55 96.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.716 0.293 . . . . 1.99 111.367 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.697 -0.229 . . . . 1.99 111.295 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.53 89.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.325 0.583 . . . . 1.22 109.576 173.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.65 78.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.407 -0.815 . . . . 1.87 109.899 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.563 ' HG3' ' N ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -63.5 -46.84 84.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 3.6 110.752 -177.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.563 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 2.8 m -70.66 -31.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.618 -0.433 . . . . 1.3 110.546 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 4.16 110.293 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -74.92 -40.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 3.22 111.234 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 24.3 m -69.39 -26.37 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 1.34 111.173 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.236 0.379 0 CA-C-O 120.866 0.365 . . . . 4.07 110.158 176.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.287 0 N-CA-C 108.353 -0.981 . . . . 2.4 108.353 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.539 ' HB2' ' HE1' ' A' ' 826' ' ' MET . 1.0 OUTLIER -95.74 118.91 33.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.145 0.498 . . . . 2.38 111.258 -175.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -111.44 135.87 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 1.17 110.218 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.709 HD12 HG23 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -93.78 103.67 15.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.052 -0.522 . . . . 1.99 110.051 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.513 HG12 ' HG ' ' A' ' 844' ' ' LEU . 4.8 m -92.43 94.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.775 0.798 . . . . 1.67 109.753 176.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.706 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 2.3 t -105.76 141.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.302 -0.863 . . . . 1.56 109.362 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 5.9 t70 -147.82 138.31 23.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.891 0.377 . . . . 1.3 110.236 172.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . 0.638 ' CB ' ' HA ' ' A' ' 876' ' ' VAL . 36.4 t0 -86.85 55.5 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.406 -0.815 . . . . 2.03 109.335 175.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.49 162.9 2.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.128 -1.064 . . . . 2.8 108.128 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -89.24 -41.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.475 1.45 . . . . 1.39 113.452 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.514 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.0 -44.54 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.646 -0.252 . . . . 2.71 111.583 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -25.64 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.024 -0.362 . . . . 2.24 110.024 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 831' ' ' ASP . 0.0 OUTLIER -60.17 -50.52 73.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 3.21 110.584 175.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.96 -30.03 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 3.24 110.88 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -45.18 48.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 1.72 110.987 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.444 HD23 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -71.11 -30.06 66.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.274 -0.421 . . . . 1.99 110.365 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.65 67.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 1.25 110.243 173.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.84 -46.69 74.3 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.583 -0.525 . . . . 1.34 109.583 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.621 ' HG2' ' HA ' ' A' ' 929' ' ' LEU . 0.5 OUTLIER -58.52 -43.93 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 2.07 110.322 176.103 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.606 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -62.41 -40.72 97.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.787 -0.642 . . . . 1.81 110.856 177.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.01 -27.46 72.29 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.84 -0.618 . . . . 0.56 111.961 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.6 m -72.6 -27.95 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 1.03 110.059 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.813 HD13 ' HG ' ' A' ' 936' ' ' LEU . 2.6 mt -77.11 -22.11 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 2.14 110.371 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 76.88 25.92 63.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.956 -0.64 . . . . 0.62 112.407 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -104.28 166.25 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.714 0.292 . . . . 1.67 111.002 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.91 116.68 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 2.92 110.613 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.8 m -96.51 116.25 28.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 1.39 111.043 -176.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.33 111.66 23.72 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.208 -0.664 . . . . 1.95 109.208 174.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.43 133.34 35.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.02 0.438 . . . . 1.24 111.892 -172.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 830' ' ' VAL . . . -144.99 165.42 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 1.15 109.825 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.9 t-20 -141.44 72.88 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 2.4 110.423 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 3.5 t70 160.61 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.588 1.155 . . . . 1.45 109.681 170.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 886' ' ' LEU . . . -73.34 -40.88 47.55 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.967 -0.853 . . . . 0.66 110.967 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.97 -28.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.18 0.514 . . . . 1.55 110.05 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.692 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 3.1 t0 -56.68 -40.25 75.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.84 110.215 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.569 ' HA ' HG13 ' A' ' 863' ' ' VAL . . . -66.6 -33.53 75.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 1.2 110.982 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.445 HD12 HG12 ' A' ' 890' ' ' ILE . 2.4 mp -62.74 -44.94 94.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.171 0.51 . . . . 2.43 110.639 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -67.34 -47.78 69.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 2.14 111.039 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 860' ' ' ALA . 5.0 p -64.01 -31.19 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.322 -0.399 . . . . 1.53 110.689 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.756 ' HA ' HD11 ' A' ' 869' ' ' ILE . 0.3 OUTLIER -65.51 -32.78 74.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.235 0.541 . . . . 2.23 110.535 174.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 10.3 m -83.17 -12.29 57.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 0.97 111.078 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -43.58 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.861 0.319 . . . . 3.88 111.861 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -138.22 147.95 44.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.563 -0.29 . . . . 1.86 110.454 -174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -77.19 103.44 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 3.83 111.212 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.756 HD11 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -97.72 138.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.604 -0.888 . . . . 1.62 108.604 169.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -89.64 -33.66 16.57 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.588 0.218 . . . . 1.64 111.588 -170.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.0 134.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.781 -0.452 . . . . 1.68 109.781 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.859 HG21 HD12 ' A' ' 897' ' ' LEU . 50.3 t -114.63 130.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.547 -0.461 . . . . 1.3 111.206 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -134.32 119.71 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.78 -0.452 . . . . 1.46 109.78 174.079 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.706 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 1.37 111.6 -175.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 4.8 t0 -76.28 156.21 33.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.721 . . . . 1.34 109.296 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . 0.638 ' HA ' ' CB ' ' A' ' 832' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 112.118 0.414 . . . . 1.82 112.118 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.759 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 15.3 p90 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.691 0.758 . . . . 3.02 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.583 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.51 -25.83 39.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.819 0.818 . . . . 3.74 111.421 -170.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.516 HD11 ' HA3' ' A' ' 857' ' ' GLY . 0.2 OUTLIER -76.79 -22.1 54.19 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.536 -0.913 . . . . 2.82 108.536 -172.118 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 1.064 HG21 ' HG2' ' A' ' 919' ' ' MET . 14.7 m -76.01 -30.99 58.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.466 -1.243 . . . . 1.55 109.194 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.403 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 10.2 tt0 -60.16 -37.1 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.317 -0.856 . . . . 2.4 109.087 173.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -34.14 70.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.199 -0.91 . . . . 2.86 110.816 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.445 HG12 HD12 ' A' ' 861' ' ' LEU . 96.8 mt -61.72 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.886 0.374 . . . . 2.15 110.622 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.445 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -70.51 -23.3 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.75 110.958 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.74 -39.39 66.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 3.05 109.74 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -50.07 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.97 91.87 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.861 -0.685 . . . . 1.12 112.188 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.72 126.97 31.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.123 0.487 . . . . 3.34 110.86 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.47 -2.22 25.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 2.85 110.745 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.859 HD12 HG21 ' A' ' 872' ' ' VAL . 0.6 OUTLIER -148.7 162.32 30.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.623 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 133.75 36.88 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.982 2.454 . . . . 1.09 112.895 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.6 t -113.24 118.91 59.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.661 . . . . 1.31 110.579 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 3.7 mt -104.71 109.93 29.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.757 -0.656 . . . . 1.28 109.935 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.26 130.14 10.18 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.479 -0.867 . . . . 0.51 112.048 -177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.6 OUTLIER -98.95 93.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.002 -0.74 . . . . 1.64 109.002 177.175 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 0.7 OUTLIER -88.14 165.68 14.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.303 -0.862 . . . . 1.35 110.995 -175.281 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.06 119.25 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.814 0.672 . . . . 1.59 112.814 -174.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.49 43.09 2.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.055 -0.975 . . . . 3.03 113.259 165.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -123.64 -35.29 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.753 -0.379 . . . . 2.81 111.213 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.96 -48.2 0.66 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.607 0.763 . . . . 4.33 111.171 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -85.2 27.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 2.52 110.349 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.761 ' HG2' ' HB ' ' A' ' 903' ' ' THR . 2.0 mp0 -60.23 -35.94 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.759 -0.655 . . . . 3.31 110.664 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.21 -27.43 69.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.62 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -73.87 -38.4 64.44 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.099 -0.334 . . . . 2.7 110.099 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.69 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 3.0 mp0 -68.52 -30.07 68.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.742 -0.783 . . . . 3.07 109.496 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.414 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.49 -29.5 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.275 0.559 . . . . 4.72 110.214 172.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 34.7 m -75.17 -29.32 60.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.034 0.445 . . . . 2.18 109.903 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.1 mp -71.2 -53.7 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 2.39 111.633 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.759 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.16 -37.61 38.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.627 0.251 . . . . 3.47 110.926 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 m 54.28 52.08 13.2 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.355 0.872 . . . . 1.35 113.355 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -147.6 20.38 1.49 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.95 -1.119 . . . . 1.02 112.758 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 1.064 ' HG2' HG21 ' A' ' 887' ' ' THR . 2.4 mmt -97.26 -116.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.996 0.427 . . . . 2.46 111.408 -174.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' A' ' 919' ' ' MET . 2.0 t70 172.51 -51.68 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.276 -1.009 . . . . 1.26 108.276 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 157.3 44.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.358 -0.837 . . . . 1.26 110.672 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 118.99 21.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 2.14 110.633 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.21 -174.28 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 1.28 110.1 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.5 142.61 42.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.504 -0.317 . . . . 1.11 110.786 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.609 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 14.7 tttp -46.93 -43.83 43.78 Favored Pre-proline 0 N--CA 1.472 0.648 0 N-CA-C 113.758 1.021 . . . . 1.69 113.758 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 35.9 Cg_endo -67.3 59.34 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.849 1.699 . . . . 1.33 112.635 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.65 152.91 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.799 -0.637 . . . . 1.94 110.334 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.3 171.3 10.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.628 -0.26 . . . . 1.48 110.456 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.621 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -52.63 -45.75 66.78 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.41 0.444 . . . . 1.47 111.429 179.127 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.44 -47.79 74.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.448 -0.342 . . . . 1.85 110.695 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.61 -44.66 99.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.913 -0.585 . . . . 1.51 111.275 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 933' ' ' LYS . 1.9 tt -67.6 -35.97 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.518 -0.31 . . . . 1.69 110.675 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.518 ' N ' HG23 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.8 -35.24 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 2.36 110.435 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.59 -51.01 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.995 -0.548 . . . . 2.76 110.509 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.0 m -62.47 -40.12 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 1.23 111.095 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.813 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.5 OUTLIER -59.65 -54.9 41.0 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.41 110.513 176.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 54.2 m -61.33 -46.0 92.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.512 -0.767 . . . . 1.41 111.722 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -39.47 94.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 1.99 111.449 -177.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.9 -31.55 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 1.99 111.514 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.22 110.414 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.5 OUTLIER -69.61 -33.97 73.42 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.163 -0.31 . . . . 1.87 110.163 178.141 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.572 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -63.48 -47.49 81.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.328 -0.396 . . . . 3.6 110.61 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.4 -30.24 34.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.942 -0.303 . . . . 1.3 110.413 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -48.57 78.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 4.16 110.768 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.7 OUTLIER -78.17 -16.7 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 3.22 111.359 -178.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.5 m -79.92 -44.27 20.68 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.823 -0.351 . . . . 1.34 110.808 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.915 0.388 . . . . 4.07 110.59 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.482 ' HG2' HD11 ' A' ' 827' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.663 0.268 . . . . 2.4 110.431 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -91.7 121.77 33.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.055 -0.521 . . . . 2.38 109.644 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.482 HD11 ' HG2' ' A' ' 825' ' ' MET . 1.1 mm -117.23 141.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.637 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.731 HD13 HG12 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -98.61 115.25 28.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.521 . . . . 1.99 109.728 176.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.695 ' HB ' HD21 ' A' ' 840' ' ' LEU . 5.6 m -111.09 103.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.704 0.764 . . . . 1.67 110.735 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.8 t -104.4 141.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.344 -0.844 . . . . 1.56 109.864 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 9.4 t70 -158.05 127.08 5.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 1.3 110.207 169.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.25 9.42 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.874 -0.603 . . . . 2.03 112.516 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 2.7 m170 -133.89 127.14 19.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 122.089 -0.382 . . . . 2.8 110.345 173.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 62.2 Cg_exo -52.17 -43.01 56.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.763 2.975 . . . . 1.39 114.263 -172.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 835' ' ' ILE . 0.2 OUTLIER -64.82 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.084 -0.246 . . . . 2.71 111.122 -175.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.403 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 3.2 t30 -83.18 -29.79 28.31 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.455 -0.498 . . . . 2.24 110.75 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.23 -42.54 91.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.49 -0.559 . . . . 3.21 109.49 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.525 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -61.51 -50.28 73.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.281 -0.872 . . . . 3.24 110.303 176.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.525 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -70.45 -33.21 71.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.887 -0.597 . . . . 1.72 111.589 -172.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.695 HD21 ' HB ' ' A' ' 829' ' ' VAL . 13.0 tp -70.09 -37.46 75.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.787 -0.642 . . . . 1.99 109.97 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.82 65.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.164 -0.471 . . . . 1.25 110.337 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -48.48 79.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 1.34 109.458 175.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.705 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.3 mp0 -59.95 -50.2 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.064 -0.971 . . . . 2.07 111.173 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 844' ' ' LEU . 16.6 tp -63.55 -35.87 81.9 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.017 0.437 . . . . 1.81 111.017 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.5 -31.44 78.74 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.097 -0.573 . . . . 0.56 111.706 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 14.7 m -68.52 -28.11 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 1.03 110.265 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -39.73 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.14 109.576 172.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.98 20.32 24.04 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.551 -0.75 . . . . 0.62 111.434 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -100.13 156.69 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 1.67 111.049 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.35 124.59 23.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 2.92 110.584 -176.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 103.54 12.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.978 -0.555 . . . . 1.39 111.212 -175.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.419 ' O ' HD23 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -92.29 115.78 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 1.95 108.897 175.208 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.09 142.21 27.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.207 0.527 . . . . 1.24 112.381 -171.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 830' ' ' VAL . . . -156.32 168.35 27.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.011 -0.995 . . . . 1.15 108.5 175.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.7 p-10 -151.11 73.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 2.4 112.189 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.849 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 30.2 t0 164.02 157.56 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.825 -1.08 . . . . 1.45 109.312 173.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.11 67.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.768 -0.73 . . . . 0.66 111.298 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.82 -28.54 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 1.55 110.685 176.395 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.849 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 15.6 t0 -56.67 -38.5 72.3 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.012 0.434 . . . . 0.84 110.05 173.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.96 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.76 -0.654 . . . . 1.2 110.837 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.519 ' CD2' HG12 ' A' ' 890' ' ' ILE . 1.3 mm? -57.77 -50.32 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 2.43 110.724 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -60.86 -50.44 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.543 -0.753 . . . . 2.14 111.244 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.35 -32.32 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.554 -0.294 . . . . 1.53 111.29 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.421 HD23 HD22 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -66.79 -33.31 75.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 2.23 110.914 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 7.3 m -79.89 -27.61 39.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.97 111.197 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 -0.62 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.059 0.392 . . . . 3.88 112.059 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -160.35 137.71 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.318 -0.253 . . . . 1.86 110.318 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -89.65 130.41 35.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.214 0.531 . . . . 3.83 111.222 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -130.32 145.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 1.62 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.58 -55.52 3.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.984 0.421 . . . . 1.64 110.699 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 24.8 mt -106.96 121.42 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.168 -0.469 . . . . 1.68 110.067 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.731 HG12 HD13 ' A' ' 828' ' ' LEU . 87.0 t -115.28 128.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 1.3 110.929 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 828' ' ' LEU . 1.1 pp -136.53 137.85 40.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 1.46 110.295 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.762 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -125.62 117.67 24.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.232 0.539 . . . . 1.37 110.216 179.722 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.73 ' HB2' ' O ' ' A' ' 830' ' ' VAL . 0.6 OUTLIER -92.32 106.3 18.33 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.43 -0.805 . . . . 1.34 111.186 -177.389 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . 0.502 ' H ' HG22 ' A' ' 876' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.833 -0.621 . . . . 1.82 109.571 176.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 912' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 123.005 1.383 . . . . 3.02 108.501 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -80.71 -28.23 36.72 Favored 'General case' 0 N--CA 1.416 -2.137 0 C-N-CA 117.817 -1.553 . . . . 3.74 113.795 -173.219 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -58.48 -47.77 82.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.103 0.954 . . . . 2.82 109.274 -167.24 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.955 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 31.7 m -81.4 -24.79 36.71 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.366 -1.288 . . . . 1.55 110.053 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.776 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 25.4 tp60 -54.52 -40.53 68.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.598 -0.519 . . . . 2.4 109.598 174.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -36.52 69.11 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.995 -0.548 . . . . 2.86 110.491 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.675 HG13 ' HA ' ' A' ' 887' ' ' THR . 4.0 mt -54.82 -50.33 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.136 0.493 . . . . 2.15 111.036 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -71.65 -24.59 61.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 2.75 111.115 -178.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.09 -31.83 71.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 3.05 110.744 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . 0.702 HD23 ' HG ' ' A' ' 895' ' ' LEU . 0.0 OUTLIER -72.32 -14.64 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 2.43 110.215 177.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.44 31.88 6.59 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.675 -0.774 . . . . 1.12 112.639 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.702 ' HG ' HD23 ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.07 142.22 50.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 3.34 110.572 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 10.4 t -147.96 38.74 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.894 0.854 . . . . 2.85 109.76 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 161.59 54.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.16 -0.927 . . . . 1.91 109.433 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.493 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 29.1 Cg_endo -62.33 113.81 2.08 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 122.784 2.323 . . . . 1.09 113.203 -176.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.781 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 61.3 t -113.85 125.23 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.635 -0.711 . . . . 1.31 110.598 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 126.33 55.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.794 -0.639 . . . . 1.28 109.973 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -110.75 110.49 2.81 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.689 -0.767 . . . . 0.51 111.792 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 61.1 t -92.09 117.4 35.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.684 -0.487 . . . . 1.64 109.684 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 909' ' ' GLU . 13.2 p -107.19 158.98 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 1.35 111.434 -171.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.77 103.99 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.501 -0.318 . . . . 1.59 111.084 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.04 32.39 18.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.62 -0.718 . . . . 3.03 112.426 175.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -93.7 92.84 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 2.81 109.177 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.51 14.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.908 0.707 . . . . 4.33 112.908 -171.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.6 25.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 2.52 110.306 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 903' ' ' THR . 0.0 OUTLIER -67.73 -28.8 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 3.31 111.231 -175.265 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.68 -29.64 70.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.115 0.483 . . . . 3.58 109.871 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -40.8 67.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.972 -0.558 . . . . 2.7 110.73 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.702 ' O ' ' HG3' ' A' ' 916' ' ' GLU . 5.3 mp0 -70.65 -34.28 71.88 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 119.09 -1.044 . . . . 3.07 109.362 175.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -40.34 58.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.171 0.51 . . . . 4.72 110.157 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 14.1 m -76.56 -30.72 57.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.817 -0.629 . . . . 2.18 111.655 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.5 OUTLIER -71.4 -53.18 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.082 0.401 . . . . 2.39 112.082 -178.195 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.955 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.1 OUTLIER -67.73 -34.34 76.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.788 0.435 . . . . 3.47 111.128 176.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.81 51.19 17.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.367 1.247 . . . . 1.35 114.367 172.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.426 ' H ' HG23 ' A' ' 887' ' ' THR . . . -147.42 23.87 1.53 Allowed Glycine 0 C--N 1.32 -0.316 0 C-N-CA 120.026 -1.083 . . . . 1.02 111.742 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.781 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.7 ttm -103.97 -125.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.621 0.248 . . . . 2.46 110.978 -174.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.508 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.4 t70 175.47 -54.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.865 -0.791 . . . . 1.26 108.865 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.03 152.19 35.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.35 -0.841 . . . . 1.26 110.203 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 6.6 m -116.42 145.01 43.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 2.14 110.745 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 19.4 mt -126.07 -179.56 4.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.384 -0.371 . . . . 1.28 110.108 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 27.5 m -108.27 148.5 29.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.828 -0.434 . . . . 1.11 109.828 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 925' ' ' LYS . 2.6 tptp -50.49 -44.06 81.85 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 114.873 1.434 . . . . 1.69 114.873 -170.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -69.05 57.43 1.15 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.182 1.921 . . . . 1.33 113.541 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.53 109.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.172 0.511 . . . . 1.94 110.683 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -179.21 4.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.867 -0.606 . . . . 1.48 110.731 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.705 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -57.28 -43.86 83.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.632 0.254 . . . . 1.47 111.185 -177.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.31 -44.72 90.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 1.85 110.412 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.74 -47.65 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.712 -0.677 . . . . 1.51 110.753 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.52 HG21 ' N ' ' A' ' 933' ' ' LYS . 1.6 tt -67.49 -29.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.005 -0.278 . . . . 1.69 111.005 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.52 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -70.65 -48.43 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.477 0.177 . . . . 2.36 111.477 -178.24 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -38.7 92.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.464 -0.495 . . . . 2.76 110.541 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 935' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 1.5 m -67.39 -44.46 78.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.352 -0.386 . . . . 1.23 110.858 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -63.35 -50.98 67.84 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.388 -0.369 . . . . 1.41 111.347 -177.794 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 53.9 m -62.37 -41.08 98.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.376 . . . . 1.41 111.693 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -42.7 66.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 1.99 110.917 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.6 OUTLIER -65.62 -49.05 70.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 1.99 110.807 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -58.76 -41.33 86.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 1.22 111.497 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 1.87 110.543 179.006 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.411 HH22 ' CG ' ' A' ' 920' ' ' ASP . 0.0 OUTLIER -73.8 -43.21 59.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.501 -0.318 . . . . 3.6 110.935 -176.022 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.54 -29.8 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.615 0.245 . . . . 1.3 110.886 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -64.1 -43.25 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.954 -0.387 . . . . 4.16 109.954 174.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.4 mttm -74.23 -19.58 60.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 3.22 110.957 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.5 m -82.81 -30.3 28.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 1.34 111.293 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 947' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 4.07 110.696 -178.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.0 mtp . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 109.707 -0.479 . . . . 2.4 109.707 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.479 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.4 mtm -87.33 117.99 26.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.667 -0.697 . . . . 2.38 110.842 -174.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.7 mm -118.52 129.56 74.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.011 -0.54 . . . . 1.17 109.881 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.656 ' HG ' HD12 ' A' ' 869' ' ' ILE . 0.4 OUTLIER -94.79 116.5 28.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.93 -0.577 . . . . 1.99 110.934 -178.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.494 HG13 HD13 ' A' ' 873' ' ' LEU . 3.9 m -95.29 95.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 1.67 109.365 174.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 854' ' ' ALA . 1.3 t -106.45 83.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 1.56 111.178 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.782 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -114.37 153.65 29.45 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 121.1 -0.24 . . . . 1.3 111.035 -174.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.26 -19.6 22.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.518 0.562 . . . . 2.03 112.518 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -107.42 105.25 55.41 Favored Pre-proline 0 C--O 1.221 -0.443 0 O-C-N 122.396 -0.19 . . . . 2.8 110.785 -174.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.9 Cg_endo -42.41 -40.07 6.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.816 3.011 . . . . 1.39 114.241 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.94 -41.02 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.125 0.488 . . . . 2.71 111.144 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -32.26 62.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.514 . . . . 2.24 110.177 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.424 ' HD3' ' OD1' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -56.49 -43.69 79.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 3.21 110.015 173.6 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.51 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.98 -51.01 71.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.497 -0.774 . . . . 3.24 110.509 178.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.51 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.63 -32.85 62.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.47 -0.786 . . . . 1.72 111.713 -171.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.426 ' HG ' HG12 ' A' ' 829' ' ' VAL . 37.8 tp -73.29 -42.78 62.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.086 -0.506 . . . . 1.99 110.386 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.77 -24.56 63.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.181 0.515 . . . . 1.25 110.085 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.03 -49.76 66.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 1.34 109.902 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.619 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.9 -37.24 81.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.834 -0.621 . . . . 2.07 110.218 176.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.823 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -59.69 -42.71 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.624 -0.716 . . . . 1.81 110.336 176.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.79 75.73 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.674 -0.694 . . . . 0.56 112.354 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 4.2 m -61.82 -40.84 96.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.46 0.171 . . . . 1.03 110.91 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.861 HD11 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.69 -39.87 88.3 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.492 -0.558 . . . . 2.14 109.492 175.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 98.5 38.59 3.92 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.66 -0.7 . . . . 0.62 112.396 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -113.25 -176.31 2.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.997 -0.371 . . . . 1.67 109.997 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.479 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.2 OUTLIER -84.99 108.29 17.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.627 -0.26 . . . . 2.92 110.899 -176.064 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 116.43 27.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.558 -0.292 . . . . 1.39 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -112.13 132.18 55.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.134 -0.691 . . . . 1.95 109.134 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.05 138.89 33.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.352 0.501 . . . . 1.24 112.352 -171.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.463 ' HB2' HD22 ' A' ' 828' ' ' LEU . . . -158.66 163.86 36.49 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.993 -0.743 . . . . 1.15 108.993 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.645 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 17.4 p-10 -149.9 72.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.706 -0.797 . . . . 2.4 112.989 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.645 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.55 161.19 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.646 1.179 . . . . 1.45 109.505 166.466 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -63.2 -43.31 98.78 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.041 -0.6 . . . . 0.66 113.366 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.944 ' HA ' HD22 ' A' ' 861' ' ' LEU . 3.9 m -73.95 -31.21 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.465 . . . . 1.55 110.852 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.419 ' HB2' ' OD2' ' A' ' 856' ' ' ASP . 5.1 t0 -59.49 -39.17 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.84 110.578 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -59.13 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 1.2 111.486 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.944 HD22 ' HA ' ' A' ' 858' ' ' VAL . 1.5 pp -72.69 -35.02 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 2.43 111.065 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.3 -48.11 76.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.168 0.508 . . . . 2.14 110.762 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 4.7 p -70.82 -31.05 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.128 -0.487 . . . . 1.53 110.692 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.666 HD23 ' HB ' ' A' ' 869' ' ' ILE . 0.2 OUTLIER -66.48 -35.74 81.03 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.933 0.345 . . . . 2.23 111.933 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -39.15 66.08 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.87 -0.332 . . . . 0.97 110.186 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -67.27 -49.7 63.31 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.117 0.484 . . . . 3.88 110.874 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.25 128.4 37.77 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.134 -0.691 . . . . 1.86 109.134 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -82.18 139.83 34.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.177 0.513 . . . . 3.83 111.437 -172.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.666 ' HB ' HD23 ' A' ' 864' ' ' LEU . 0.1 OUTLIER -125.19 155.08 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.268 -0.878 . . . . 1.62 109.133 -177.736 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 869' ' ' ILE . 19.7 m-20 -79.42 -53.81 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 1.64 111.356 -175.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 1.2 mm -132.22 138.62 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.372 -0.376 . . . . 1.68 110.621 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 828' ' ' LEU . 16.9 t -116.92 135.19 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.222 -0.191 . . . . 1.3 110.588 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.494 HD13 HG13 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -124.97 108.52 11.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 1.46 110.203 175.11 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.45 99.78 12.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 1.37 110.32 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.782 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 32.9 t0 -90.05 105.63 17.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.438 -0.801 . . . . 1.34 110.122 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.315 0.579 . . . . 1.82 112.019 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.816 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 2.8 p90 . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 122.089 0.947 . . . . 3.02 110.712 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.605 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.46 -26.4 63.32 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.031 -0.986 . . . . 3.74 111.492 -162.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.489 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.06 -34.79 78.88 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.802 0.81 . . . . 2.82 109.104 -172.149 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.569 HG21 ' HG3' ' A' ' 919' ' ' MET . 5.8 m -79.77 -27.11 40.47 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.578 -1.192 . . . . 1.55 110.078 178.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.457 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 2.0 tt0 -61.1 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.461 -0.57 . . . . 2.4 109.461 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.5 OUTLIER -60.36 -40.99 92.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.116 -0.947 . . . . 2.86 110.361 174.342 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.545 HG12 ' HB3' ' A' ' 861' ' ' LEU . 74.6 mt -56.61 -49.59 77.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.979 -0.555 . . . . 2.15 110.745 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.897 -0.592 . . . . 2.75 110.782 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.483 ' HG2' HH11 ' A' ' 889' ' ' ARG . 2.9 tp60 -62.23 -35.22 78.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 3.05 110.521 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -26.1 63.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 2.43 110.965 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 69.83 61.04 4.57 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.941 -0.647 . . . . 1.12 111.509 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.852 HD13 HD21 ' A' ' 897' ' ' LEU . 0.0 OUTLIER -89.53 145.88 24.98 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.838 0.351 . . . . 3.34 110.522 -175.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.47 68.49 1.38 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.85 111.682 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.852 HD21 HD13 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -164.68 146.26 6.67 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.151 -0.477 . . . . 1.91 110.602 -175.738 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -81.84 133.99 8.23 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.671 2.247 . . . . 1.09 112.156 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.813 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 3.3 t -110.56 114.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.144 -0.48 . . . . 1.31 110.445 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 923' ' ' LEU . 3.4 mt -98.55 106.95 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.704 . . . . 1.28 110.073 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.411 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -83.93 103.87 2.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.685 -0.769 . . . . 0.51 112.57 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.507 ' H ' HG23 ' A' ' 902' ' ' VAL . 0.2 OUTLIER -81.43 94.24 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.737 -0.838 . . . . 1.64 108.737 173.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 1.8 p -102.28 152.71 20.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.426 0.528 . . . . 1.35 112.426 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -135.69 103.15 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 1.59 110.563 173.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' A' ' 905' ' ' ASN . 0.8 OUTLIER 44.56 72.3 0.21 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.946 -1.024 . . . . 3.03 112.869 178.166 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.837 ' HB1' ' HG3' ' A' ' 909' ' ' GLU . . . -105.15 28.76 6.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.943 -0.572 . . . . 2.81 110.123 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 11.4 mt 72.72 -67.8 0.25 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.189 -0.914 . . . . 4.33 111.981 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -137.4 67.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.971 0.415 . . . . 2.52 110.606 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.837 ' HG3' ' HB1' ' A' ' 906' ' ' ALA . 31.7 mp0 -58.96 -49.64 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.742 -0.663 . . . . 3.31 111.795 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -26.62 67.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.768 0.318 . . . . 3.58 110.605 -176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.24 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.3 -0.409 . . . . 2.7 110.32 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.816 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -74.52 -37.3 63.13 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 119.476 -0.89 . . . . 3.07 109.261 176.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.525 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -52.81 -40.34 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.421 0.451 . . . . 4.72 110.75 177.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.12 -29.39 54.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.399 -0.364 . . . . 2.18 111.245 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -70.21 -52.16 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 2.39 111.251 -177.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.4 -38.39 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 3.47 110.59 177.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.74 50.58 17.79 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.458 -0.792 . . . . 1.35 112.691 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -131.15 -6.06 3.62 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.231 -0.985 . . . . 1.02 112.852 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.813 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.5 mtm -85.64 -98.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.408 0.104 . . . . 2.46 110.87 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.4 t70 133.01 -55.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.227 1.811 . . . . 1.26 110.368 172.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 921' ' ' SER . . . . . 0.627 ' HB2' HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -104.3 156.64 17.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.675 -0.239 . . . . 1.26 110.881 -177.131 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.38 135.03 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.372 . . . . 2.14 111.048 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.684 HD12 HG21 ' A' ' 900' ' ' ILE . 0.4 OUTLIER -132.82 -175.32 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.763 -0.458 . . . . 1.28 109.763 177.016 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.63 140.24 42.28 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.59 -0.522 . . . . 1.11 109.59 176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.45 ' HE2' ' OD1' ' A' ' 875' ' ' ASP . 5.4 ttmm -46.52 -48.45 47.49 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.907 0.706 . . . . 1.69 112.907 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 51.0 Cg_endo -70.06 69.54 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.748 1.632 . . . . 1.33 112.487 175.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -87.52 169.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.94 110.435 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.51 172.82 11.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 1.48 110.491 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.619 HD22 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -46.85 88.58 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.173 0.295 . . . . 1.47 111.685 -174.479 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -30.39 59.77 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.811 -0.356 . . . . 1.85 111.103 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.99 -44.91 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 1.51 109.895 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.5 tt -69.98 -24.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 1.69 110.225 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.419 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -71.67 -48.2 49.17 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.24 -0.436 . . . . 2.36 111.295 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -36.5 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.627 -0.429 . . . . 2.76 110.263 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 93.3 m -65.5 -49.55 68.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.743 0.306 . . . . 1.23 111.006 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.861 ' HG ' HD11 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.43 -49.66 76.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 1.41 110.568 179.281 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.6 m -65.61 -41.89 92.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.586 -0.734 . . . . 1.41 111.844 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -47.12 87.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 1.99 110.998 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.502 ' HH ' ' HG ' ' A' ' 921' ' ' SER . 0.7 OUTLIER -73.19 -30.0 63.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 1.99 110.977 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.76 93.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 1.22 110.625 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -64.66 -36.7 85.12 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.802 -0.444 . . . . 1.87 109.802 176.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.498 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -63.5 -48.08 79.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.02 -0.536 . . . . 3.6 111.153 -177.096 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 18.8 m -75.37 -31.47 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.474 -0.33 . . . . 1.3 111.223 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -75.69 -37.3 59.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.997 -0.281 . . . . 4.16 111.411 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -30.55 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 3.22 110.601 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 17.9 m -79.15 -21.45 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 1.34 110.615 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 4.07 110.936 -179.669 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.416 -0.587 . . . . 2.4 109.416 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.575 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 27.3 mtm -89.98 115.65 27.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 2.38 110.9 -174.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.599 ' HB ' HD23 ' A' ' 844' ' ' LEU . 0.9 OUTLIER -109.17 134.98 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.147 0.499 . . . . 1.17 110.569 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.679 ' HB2' HG23 ' A' ' 869' ' ' ILE . 0.7 OUTLIER -98.45 105.41 17.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.781 -0.645 . . . . 1.99 110.333 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.491 ' H ' HG11 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -92.12 104.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.572 0.701 . . . . 1.67 109.447 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.85 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 11.4 t -113.35 133.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.545 -0.752 . . . . 1.56 109.935 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -159.03 138.97 11.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.956 -0.387 . . . . 1.3 109.956 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -81.19 -7.51 59.58 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.171 0.804 . . . . 2.03 113.171 -175.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -122.82 96.57 45.08 Favored Pre-proline 0 N--CA 1.467 0.407 0 O-C-N 121.431 -0.793 . . . . 2.8 111.405 -174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -30.74 -52.0 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.769 1 C-N-CA 125.418 4.079 . . . . 1.39 116.305 -170.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.496 HG23 HD11 ' A' ' 835' ' ' ILE . 0.4 OUTLIER -56.4 -41.94 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.155 0.503 . . . . 2.71 111.6 -178.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.456 ' N ' HG22 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -78.52 -32.44 48.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.067 -0.346 . . . . 2.24 110.067 -178.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.514 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -57.97 -47.22 83.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 3.21 110.796 175.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -36.83 83.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.438 -0.346 . . . . 3.24 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -48.11 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 1.72 110.526 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 932' ' ' ILE . 17.2 tp -61.42 -40.23 93.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.728 -0.669 . . . . 1.99 111.003 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.77 73.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 1.25 110.747 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.96 -49.09 71.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 1.34 110.244 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.494 ' HG3' HD21 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -56.09 -39.55 72.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.608 0.567 . . . . 2.07 110.488 177.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 827' ' ' ILE . 6.5 tp -62.38 -40.37 96.24 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.64 -0.709 . . . . 1.81 110.686 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.84 79.56 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.925 -0.655 . . . . 0.56 112.246 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -35.68 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 1.03 110.625 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.619 HD23 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.63 -34.94 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.035 -0.53 . . . . 2.14 110.847 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 99.25 20.11 18.98 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.836 -0.697 . . . . 0.62 112.287 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.71 165.99 10.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.385 -0.228 . . . . 1.67 110.385 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.575 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.9 OUTLIER -70.01 131.28 44.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 2.92 110.963 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.12 104.6 10.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.27 -0.423 . . . . 1.39 111.513 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.71 118.82 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.373 -0.603 . . . . 1.95 109.373 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.28 132.95 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.187 0.44 . . . . 1.24 112.187 -171.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.514 ' O ' ' HD2' ' A' ' 837' ' ' ARG . . . -142.26 166.97 23.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.15 109.768 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 17.4 p-10 -147.02 73.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.245 0.545 . . . . 2.4 111.763 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.594 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t0 163.72 164.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.908 -1.042 . . . . 1.45 109.003 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -76.42 -46.11 12.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.175 -1.012 . . . . 0.66 110.604 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 861' ' ' LEU . 7.2 m -66.56 -29.01 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.429 . . . . 1.55 110.475 177.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 34.2 t0 -56.03 -42.89 77.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.67 -0.695 . . . . 0.84 110.369 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -64.2 -36.27 83.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 1.2 110.593 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.539 ' CD2' ' HG3' ' A' ' 889' ' ' ARG . 3.0 mp -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.43 110.624 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.86 -55.55 33.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 2.14 110.791 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.61 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 115.895 -0.593 . . . . 1.53 111.122 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -62.77 -37.37 86.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.072 0.463 . . . . 2.23 110.818 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.3 m -72.93 -26.81 61.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.781 -0.645 . . . . 0.97 111.151 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -82.52 -48.06 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 3.88 110.919 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -143.57 135.3 26.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.95 -0.568 . . . . 1.86 109.913 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.85 111.85 8.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.995 0.426 . . . . 3.83 111.767 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.679 HG23 ' HB2' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -88.13 151.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 1.62 109.326 174.187 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.413 ' N ' HG22 ' A' ' 869' ' ' ILE . 12.2 m-20 -80.85 -54.88 5.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.537 -0.301 . . . . 1.64 111.774 -173.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 136.91 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.598 -0.273 . . . . 1.68 110.281 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 897' ' ' LEU . 52.9 t -108.95 129.93 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.654 -0.248 . . . . 1.3 110.489 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.469 HD21 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.41 99.18 6.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.664 -0.495 . . . . 1.46 109.664 172.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.85 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -104.18 109.61 21.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 1.37 110.87 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.572 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 35.4 t0 -95.29 117.98 31.24 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.596 0.712 . . . . 1.34 110.521 177.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.82 111.401 -174.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.728 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 2.8 p90 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 122.842 1.306 . . . . 3.02 109.619 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.726 ' HD3' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -66.94 -22.61 65.93 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.314 -0.866 . . . . 3.74 111.058 -170.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -45.97 89.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.578 0.704 . . . . 2.82 109.655 -169.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.712 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 3.8 m -73.04 -31.13 64.23 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.028 -0.987 . . . . 1.55 109.966 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.726 ' HB3' ' HD3' ' A' ' 885' ' ' ARG . 6.4 tt0 -59.98 -37.41 79.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.3 0.572 . . . . 2.4 110.27 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.539 ' HG3' ' CD2' ' A' ' 861' ' ' LEU . 1.4 tpm_? -68.55 -37.78 80.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.347 -0.842 . . . . 2.86 110.382 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.423 HG21 HD23 ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.7 -37.2 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.686 0.279 . . . . 2.15 110.849 177.056 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.646 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -72.96 -41.77 64.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.94 0.4 . . . . 2.75 110.422 179.392 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.431 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 1.1 tp-100 -68.3 -25.3 65.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.992 -0.549 . . . . 3.05 110.604 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -50.97 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.002 -0.545 . . . . 2.43 110.302 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.17 87.55 0.71 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.674 -0.774 . . . . 1.12 111.881 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 3.34 110.935 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.37 32.35 5.37 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.435 0.636 . . . . 2.85 109.898 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.594 HD11 HG21 ' A' ' 872' ' ' VAL . 1.1 pt? -156.28 155.72 29.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.49 -0.777 . . . . 1.91 109.747 -174.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.81 127.98 14.47 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 122.63 2.22 . . . . 1.09 111.97 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 57.0 t -106.47 113.62 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.559 0.695 . . . . 1.31 110.422 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.558 HG22 HD11 ' A' ' 923' ' ' LEU . 7.2 mt -97.4 105.43 17.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.359 -0.837 . . . . 1.28 109.941 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.467 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -86.51 109.47 3.4 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.852 -0.69 . . . . 0.51 112.277 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -89.09 128.42 41.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.451 -0.944 . . . . 1.64 108.451 174.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 924' ' ' SER . 4.7 p -144.72 162.01 37.79 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.936 -0.306 . . . . 1.35 111.036 -174.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -139.62 102.75 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.0 -0.28 . . . . 1.59 110.692 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t30 42.54 74.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.133 0.895 . . . . 3.03 112.706 176.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -103.2 22.39 14.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 2.81 110.169 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.71 73.72 0.47 Allowed 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.292 -0.867 . . . . 4.33 110.6 -177.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 907' ' ' LEU . . . 73.17 56.61 0.11 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.75 -1.114 . . . . 2.52 111.078 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.521 ' HA ' ' OE1' ' A' ' 912' ' ' GLN . 9.0 pm0 -61.56 -31.36 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 3.31 110.187 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.87 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.889 -0.596 . . . . 3.58 110.02 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.426 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -71.93 -34.75 69.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.116 -0.493 . . . . 2.7 110.479 179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.643 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 3.3 mp0 -67.53 -38.17 83.81 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.326 -0.95 . . . . 3.07 108.764 173.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.414 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -54.17 -32.97 56.89 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.511 0.507 . . . . 4.72 111.15 177.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -29.99 52.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 2.18 111.206 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 912' ' ' GLN . 22.6 mt -72.99 -53.27 11.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.976 0.361 . . . . 2.39 111.976 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.728 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.23 -41.28 34.78 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.993 0.368 . . . . 3.47 111.993 -178.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 917' ' ' SER . . . . . 0.646 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 52.18 52.07 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 114.058 1.132 . . . . 1.35 114.058 174.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.522 ' H ' HG21 ' A' ' 887' ' ' THR . . . -135.74 24.13 3.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.255 -0.974 . . . . 1.02 111.93 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.5 mtt -103.13 -120.41 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 2.46 111.296 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.532 ' HB2' ' O ' ' A' ' 919' ' ' MET . 31.4 t0 162.52 -52.78 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.799 1.24 . . . . 1.26 109.073 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 921' ' ' SER . . . . . 0.456 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -123.26 161.03 25.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.615 -0.72 . . . . 1.26 110.501 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 0.5 OUTLIER -144.62 132.64 21.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.972 -0.381 . . . . 2.14 109.972 177.216 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.558 HD11 HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -132.65 -176.73 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.56 -0.291 . . . . 1.28 110.569 -179.234 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.1 OUTLIER -101.6 149.7 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 1.11 109.897 178.694 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.439 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -47.1 -49.81 49.41 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 113.467 0.914 . . . . 1.69 113.467 -178.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 56.6 Cg_endo -70.52 60.7 2.1 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.042 1.828 . . . . 1.33 113.825 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.4 102.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 1.94 109.922 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.92 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 1.48 111.261 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.494 HD21 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -56.56 -45.99 80.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 1.47 111.66 -176.351 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.74 -38.73 83.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.067 0.461 . . . . 1.85 110.626 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.07 -45.79 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.51 110.38 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.1 tt -65.57 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 1.69 110.409 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 2.36 110.398 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.0 -53.9 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 2.76 110.527 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -44.61 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.23 111.593 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.619 ' HG ' HD23 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -58.65 -59.98 4.55 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.225 -0.443 . . . . 1.41 111.167 -179.019 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.3 m -60.3 -42.32 95.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 1.41 111.716 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -49.05 62.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.283 . . . . 1.99 111.457 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -74.27 -29.59 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.013 -0.275 . . . . 1.99 111.324 -175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.66 -43.22 90.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.679 0.276 . . . . 1.22 110.29 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -72.06 -27.68 62.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 1.87 110.225 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 1.2 ttt180 -65.57 -47.35 76.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 3.6 110.057 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.2 -30.27 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 1.3 110.643 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -69.66 -38.01 76.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.451 0.167 . . . . 4.16 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -75.42 -27.68 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.635 0.255 . . . . 3.22 110.711 178.123 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.0 m -72.68 -35.7 67.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.203 0.525 . . . . 1.34 110.306 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 4.07 110.554 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 1.4 tpp . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.232 -0.284 . . . . 2.4 110.232 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.487 ' HE2' ' HB2' ' A' ' 826' ' ' MET . 3.7 mtm -95.04 124.52 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.265 -0.425 . . . . 2.38 110.817 -177.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -113.88 133.33 60.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 1.17 109.492 176.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.533 HD11 HG13 ' A' ' 863' ' ' VAL . 32.1 tp -107.93 114.14 27.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.873 0.368 . . . . 1.99 110.951 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.552 HG21 HD22 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -94.17 105.3 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 1.67 108.9 174.169 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.559 HG21 ' O ' ' A' ' 873' ' ' LEU . 0.1 OUTLIER -109.25 82.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.672 -0.695 . . . . 1.56 110.672 -177.013 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.614 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 52.8 t0 -108.5 125.63 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.43 -0.582 . . . . 1.3 109.43 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . 0.782 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 0.7 OUTLIER -53.86 -36.69 62.88 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.922 0.764 . . . . 2.03 111.506 -179.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.52 109.15 56.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 2.8 110.67 -175.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.51 -28.71 37.29 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.482 2.788 . . . . 1.39 113.597 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -46.7 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.141 0.496 . . . . 2.71 111.402 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.614 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.8 OUTLIER -83.6 -23.04 32.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.518 -0.549 . . . . 2.24 109.518 179.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.48 ' HD3' HG21 ' A' ' 853' ' ' THR . 2.1 ttm180 -60.7 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.405 -0.816 . . . . 3.21 110.561 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -29.01 67.2 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.927 -0.309 . . . . 3.24 110.331 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 836' ' ' ASN . 2.7 mt -63.06 -51.28 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 1.72 110.47 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.552 HD22 HG21 ' A' ' 829' ' ' VAL . 14.3 tp -63.08 -36.68 84.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 1.99 110.705 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.2 -28.23 68.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 1.25 111.289 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.37 -41.75 63.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 1.34 110.227 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.606 ' HG3' HD21 ' A' ' 929' ' ' LEU . 2.3 mp0 -62.37 -38.45 89.62 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.469 0.652 . . . . 2.07 109.808 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -37.54 84.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.428 -0.806 . . . . 1.81 109.955 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.47 -33.21 85.69 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.396 -0.82 . . . . 0.56 112.388 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 -29.8 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 1.03 110.482 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -71.28 -44.9 64.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 2.14 110.16 174.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.51 24.63 25.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.62 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.2 175.46 5.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.307 -0.257 . . . . 1.67 110.307 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 825' ' ' MET . 4.1 mm-40 -66.59 124.03 21.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.852 0.358 . . . . 2.92 110.473 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.72 112.73 24.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.941 -0.572 . . . . 1.39 111.14 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.6 127.43 55.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.469 -0.567 . . . . 1.95 109.469 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.48 HG21 ' HD3' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -106.34 133.8 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.338 0.495 . . . . 1.24 112.338 -174.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -158.03 -172.29 3.85 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.417 -0.586 . . . . 1.15 109.417 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.782 ' HB2' ' HA ' ' A' ' 832' ' ' ASP . 12.6 p-10 -156.53 75.28 0.85 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.902 0.704 . . . . 2.4 112.902 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.7 t0 164.13 162.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.379 0.672 . . . . 1.45 109.498 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.932 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -82.06 -35.89 19.9 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.332 -1.107 . . . . 0.66 110.332 172.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.611 ' HA ' HD21 ' A' ' 861' ' ' LEU . 13.1 m -73.28 -31.15 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.996 0.427 . . . . 1.55 110.117 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.59 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 7.8 t0 -76.06 -24.53 55.12 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.679 -0.489 . . . . 0.84 109.679 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -47.33 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.2 110.514 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 858' ' ' VAL . 1.3 pp -73.55 -26.96 61.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.749 0.309 . . . . 2.43 110.672 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.95 -55.54 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.059 0.457 . . . . 2.14 110.229 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 828' ' ' LEU . 5.1 p -65.55 -30.98 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.109 -0.496 . . . . 1.53 110.526 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -67.3 -32.46 73.45 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.417 -0.356 . . . . 2.23 111.195 176.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 67.2 m -66.53 -33.77 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.952 -0.388 . . . . 0.97 109.952 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 0.4 OUTLIER -74.69 -57.19 4.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.953 -0.567 . . . . 3.88 110.503 175.483 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 1.9 t-20 -124.68 123.62 40.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.549 -0.537 . . . . 1.86 109.549 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -71.41 89.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 3.83 110.894 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.91 145.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.726 -0.67 . . . . 1.62 109.569 172.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -87.45 -68.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 1.64 111.098 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.485 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.1 mt -99.74 130.78 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.68 110.158 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.05 131.25 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.69 0.281 . . . . 1.3 111.564 -174.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.766 HD22 HD11 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -116.19 99.43 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 1.46 109.655 174.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.447 ' HG ' ' HA2' ' A' ' 901' ' ' GLY . 1.5 p -85.28 102.02 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.899 -0.408 . . . . 1.37 109.899 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.563 ' CG ' ' HZ2' ' A' ' 925' ' ' LYS . 8.7 t0 -105.0 124.45 49.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.34 111.068 -173.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.93 -0.577 . . . . 1.82 110.745 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.617 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 1.1 p90 . . . . . 0 C--O 1.238 0.47 0 CA-C-O 121.426 0.632 . . . . 3.02 111.807 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.2 tmm_? -60.83 -30.45 70.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 3.74 111.737 -168.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.932 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 1.4 pp -76.94 -18.74 58.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.199 1.0 . . . . 2.82 108.315 -172.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.603 ' HB ' ' O ' ' A' ' 884' ' ' TYR . 73.4 m -70.06 -35.72 74.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.481 -1.69 . . . . 1.55 108.226 173.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 5.6 tt0 -64.13 -39.11 93.33 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.77 -1.105 . . . . 2.4 110.861 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.14 -36.8 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 2.86 110.474 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.588 HG22 ' HB3' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.94 -35.46 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.943 0.401 . . . . 2.15 109.992 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.615 ' HA ' HD23 ' A' ' 895' ' ' LEU . 1.4 ttm180 -65.07 -43.97 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.874 -0.603 . . . . 2.75 110.343 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -36.17 82.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 3.05 111.346 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.36 -23.01 61.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.527 . . . . 2.43 110.861 -178.069 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 98.67 82.86 1.69 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.8 -0.92 . . . . 1.12 110.8 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -79.3 128.89 33.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.82 0.819 . . . . 3.34 112.335 -172.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 896' ' ' THR . . . . . 0.739 ' H ' HD23 ' A' ' 897' ' ' LEU . 0.1 OUTLIER -112.22 6.42 18.97 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.314 -1.365 . . . . 2.85 107.314 170.341 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 896' ' ' THR . 1.2 mm? -105.81 130.5 22.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 113.874 -1.512 . . . . 1.91 111.729 -163.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.18 106.73 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.69 2.26 . . . . 1.09 109.741 166.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.924 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 40.1 t -102.61 123.81 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.445 0.641 . . . . 1.31 112.14 -171.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.766 HD11 HD22 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -104.62 112.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.41 -0.813 . . . . 1.28 109.038 173.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.447 ' HA2' ' HG ' ' A' ' 874' ' ' SER . . . -91.79 121.53 6.42 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.773 -0.727 . . . . 0.51 112.451 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.16 94.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.235 -0.654 . . . . 1.64 109.235 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.3 OUTLIER -96.9 163.02 13.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.054 -0.521 . . . . 1.35 111.693 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -121.68 104.2 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 1.59 111.703 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.9 t30 40.63 59.98 2.01 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.278 0.987 . . . . 3.03 113.097 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' ' 909' ' ' GLU . . . -118.24 92.17 3.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.591 . . . . 2.81 109.403 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 126.68 2.82 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.603 0.564 . . . . 4.33 111.727 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 71.28 45.08 0.5 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.094 0.871 . . . . 2.52 111.049 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 906' ' ' ALA . 4.4 mt-10 -58.45 -42.66 87.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 3.31 110.238 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.103 -0.953 . . . . 3.58 110.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -36.38 57.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.167 -0.469 . . . . 2.7 110.239 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -71.94 -35.53 69.63 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.299 -0.56 . . . . 3.07 109.792 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -59.4 -40.76 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 4.72 110.068 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.89 -35.41 78.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 2.18 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -48.25 56.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 2.39 111.745 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.617 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 5.2 mm-40 -77.93 -23.38 48.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.191 -0.459 . . . . 3.47 111.328 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.6 m 52.11 53.0 13.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.787 1.403 . . . . 1.35 114.787 167.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.44 25.14 1.53 Allowed Glycine 0 C--O 1.226 -0.363 0 C-N-CA 119.968 -1.11 . . . . 1.02 113.108 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.924 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.5 ttm -111.67 -125.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.479 -0.424 . . . . 2.46 111.604 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.488 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.8 t70 177.2 -51.89 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.366 -0.834 . . . . 1.26 109.023 174.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 70.7 m -140.31 149.75 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.569 -0.741 . . . . 1.26 110.499 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.41 136.69 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 2.14 110.997 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.56 -175.46 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 1.28 109.084 177.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 903' ' ' THR . 2.1 m -128.53 158.31 38.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.704 -0.398 . . . . 1.11 110.94 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.563 ' HZ2' ' CG ' ' A' ' 875' ' ' ASP . 4.4 tptp -45.5 -43.45 25.02 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 113.892 1.071 . . . . 1.69 113.892 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 32.1 Cg_endo -65.89 68.15 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.006 1.804 . . . . 1.33 113.549 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.525 ' HB ' HD12 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -94.64 177.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.94 110.175 172.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.13 167.16 24.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.401 -0.363 . . . . 1.48 110.451 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.606 HD21 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -54.47 -46.83 73.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.804 0.442 . . . . 1.47 111.774 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.32 -46.25 70.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.796 0.331 . . . . 1.85 110.594 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 19.0 t -60.58 -40.29 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 1.51 110.743 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.525 HD12 ' HB ' ' A' ' 927' ' ' VAL . 0.6 OUTLIER -61.98 -47.33 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.69 110.447 178.185 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.494 ' HD3' HD22 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.564 -0.289 . . . . 2.36 111.421 -178.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.58 -54.03 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 2.76 110.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.7 m -65.52 -42.93 91.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.971 -0.559 . . . . 1.23 111.54 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -64.18 -43.1 96.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.596 -0.274 . . . . 1.41 111.233 -177.659 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 41.6 m -68.46 -31.67 71.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 1.41 110.891 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -43.29 93.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.509 . . . . 1.99 110.4 175.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.97 -39.28 76.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.99 110.948 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.56 91.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 1.22 111.287 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -70.04 -35.69 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.912 -0.315 . . . . 1.87 110.261 178.384 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.554 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 73.3 mtt180 -60.97 -48.73 80.47 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.167 -0.469 . . . . 3.6 110.909 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 7.0 m -72.58 -31.24 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 1.3 110.989 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 4.16 110.857 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 1.7 ptmt -75.5 -29.46 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.775 0.287 . . . . 3.22 111.775 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.2 m -72.97 -47.77 42.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.939 -0.304 . . . . 1.34 111.387 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.535 -0.302 . . . . 4.07 110.814 -179.011 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.112 -0.329 . . . . 2.4 110.112 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.8 ' HB2' ' HA ' ' A' ' 869' ' ' ILE . 0.0 OUTLIER -86.12 117.79 25.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 2.38 109.749 -179.56 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 844' ' ' LEU . 18.1 mm -116.55 132.08 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.526 . . . . 1.17 111.196 -175.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 109.98 21.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.717 -0.674 . . . . 1.99 110.231 178.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.631 HG11 ' HG ' ' A' ' 840' ' ' LEU . 0.6 OUTLIER -96.93 105.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.507 0.67 . . . . 1.67 109.705 175.89 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.731 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 50.9 t -109.93 139.72 31.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.68 -0.691 . . . . 1.56 110.641 -178.195 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.48 ' N ' HG13 ' A' ' 830' ' ' VAL . 11.2 t0 -142.89 140.53 31.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.02 -1.104 . . . . 1.3 108.02 167.2 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -72.34 -8.11 53.16 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 123.089 0.243 . . . . 2.03 111.532 -175.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.532 ' HD2' HG22 ' A' ' 835' ' ' ILE . 0.6 OUTLIER -128.29 175.72 3.27 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.589 -0.523 . . . . 2.8 109.589 174.47 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . 0.407 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 6.1 Cg_exo -81.97 -35.38 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.266 1.977 . . . . 1.39 113.84 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.541 HD12 HG23 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -64.28 -47.98 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.349 0.499 . . . . 2.71 112.349 -171.869 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -22.54 42.66 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.243 -0.583 . . . . 2.24 109.684 -178.388 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.0 ttp180 -61.47 -53.15 60.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.83 -0.623 . . . . 3.21 110.836 175.216 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -32.62 74.22 Favored 'General case' 0 C--O 1.228 -0.034 0 C-N-CA 120.551 -0.46 . . . . 3.24 110.657 179.565 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.52 -52.97 55.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 1.72 110.33 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.631 ' HG ' HG11 ' A' ' 829' ' ' VAL . 17.3 tp -61.55 -41.45 97.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.763 -0.653 . . . . 1.99 111.151 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.6 84.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 1.25 110.96 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.22 -45.14 93.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.993 0.425 . . . . 1.34 109.982 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -48.41 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.634 -0.712 . . . . 2.07 110.864 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.742 HD22 ' HA ' ' A' ' 851' ' ' CYS . 35.8 tp -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.81 111.159 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.08 -38.06 95.96 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.987 -0.551 . . . . 0.56 112.621 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.3 m -70.96 -25.11 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 1.03 110.741 178.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 844' ' ' LEU . 0.1 OUTLIER -75.68 -28.63 58.76 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.167 -0.679 . . . . 2.14 109.167 177.023 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.23 11.51 36.29 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.669 -0.696 . . . . 0.62 113.397 171.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -91.29 172.74 8.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.804 0.302 . . . . 1.67 110.251 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.62 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.4 tt0 -71.78 124.1 24.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.525 -0.307 . . . . 2.92 110.274 179.214 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.742 ' HA ' HD22 ' A' ' 844' ' ' LEU . 0.5 OUTLIER -101.04 104.91 16.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.275 -0.421 . . . . 1.39 111.222 -175.282 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.484 ' HD2' ' HA ' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.13 109.99 21.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.847 -0.427 . . . . 1.95 109.847 175.673 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.39 130.23 37.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.946 0.403 . . . . 1.24 111.893 -175.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.473 ' O ' ' HD2' ' A' ' 837' ' ' ARG . . . -144.87 160.98 40.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 1.15 109.361 175.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.9 OUTLIER -131.44 70.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.192 -0.603 . . . . 2.4 111.697 -175.881 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.619 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.4 t0 161.42 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.539 -1.21 . . . . 1.45 108.447 171.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.599 ' HA3' ' CB ' ' A' ' 886' ' ' LEU . . . -72.85 -40.85 51.29 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.21 -0.995 . . . . 0.66 111.191 177.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 858' ' ' VAL . 0.4 OUTLIER -67.2 -31.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 1.55 110.337 175.84 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.68 -41.18 90.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.84 110.466 177.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.37 95.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.092 -0.504 . . . . 1.2 111.047 177.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -33.23 71.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.1 0.476 . . . . 2.43 110.793 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -44.38 65.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.65 . . . . 2.14 109.484 178.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.8 -32.59 58.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.075 -0.966 . . . . 1.53 110.256 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 864' ' ' LEU . 1.3 tm? -66.39 -35.62 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 2.23 110.679 174.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 31.8 m -77.61 -19.07 56.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.297 -0.411 . . . . 0.97 111.507 -177.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -52.97 3.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.966 0.412 . . . . 3.88 111.196 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.23 -173.41 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 1.86 110.111 -176.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -107.63 146.31 32.15 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.925 -0.769 . . . . 3.83 108.925 172.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -154.46 151.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.749 -0.463 . . . . 1.62 109.749 -179.638 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.64 -49.56 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.948 0.404 . . . . 1.64 110.586 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.565 HG21 HD23 ' A' ' 873' ' ' LEU . 7.1 mm -128.17 139.77 50.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.286 -0.416 . . . . 1.68 110.726 -178.245 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.2 126.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.444 -0.344 . . . . 1.3 110.666 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.565 HD23 HG21 ' A' ' 871' ' ' ILE . 0.0 OUTLIER -126.62 122.61 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.984 -0.376 . . . . 1.46 109.984 174.781 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.731 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -117.75 106.72 13.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 1.37 111.183 -178.159 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.779 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -83.41 106.91 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 1.34 109.66 176.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 903' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 112.064 0.394 . . . . 1.82 112.064 -172.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.9 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 6.6 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.433 0.635 . . . . 3.02 111.525 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.66 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.48 -26.71 63.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.772 . . . . 3.74 111.141 -166.166 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.599 ' CB ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -69.63 -28.65 66.09 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.988 0.899 . . . . 2.82 108.851 -172.461 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.7 m -81.0 -27.08 36.0 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.223 -1.353 . . . . 1.55 109.869 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.9 -44.6 78.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.272 0.558 . . . . 2.4 109.632 172.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -64.67 -38.68 91.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 2.86 110.814 176.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 887' ' ' THR . 12.2 mt -62.67 -46.36 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.565 . . . . 2.15 111.573 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.682 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.0 OUTLIER -72.64 -25.79 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.678 0.275 . . . . 2.75 110.911 -178.128 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -42.43 95.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.189 -0.671 . . . . 3.05 109.189 173.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.66 -40.03 73.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.717 . . . . 2.43 110.268 177.119 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.53 44.25 4.04 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.914 -0.66 . . . . 1.12 112.19 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.436 HD22 ' HG ' ' A' ' 864' ' ' LEU . 4.4 mp -55.35 129.86 40.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 3.34 111.045 178.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -93.99 18.78 10.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.731 -0.668 . . . . 2.85 110.927 -176.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.51 149.08 60.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.364 -0.38 . . . . 1.91 110.333 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.65 129.1 23.94 Favored 'Trans proline' 0 C--O 1.241 0.642 0 C-N-CA 122.987 2.458 . . . . 1.09 112.932 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.816 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 11.0 t -109.3 122.32 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.657 -0.702 . . . . 1.31 109.911 177.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 923' ' ' LEU . 23.1 mt -113.11 110.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 116.013 -0.54 . . . . 1.28 110.198 179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.25 116.82 4.78 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.901 -0.666 . . . . 0.51 112.449 -177.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.779 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.9 t -87.98 96.84 6.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.842 -0.799 . . . . 1.64 108.842 175.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 876' ' ' VAL . 36.6 p -126.75 137.27 53.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.464 -0.335 . . . . 1.35 110.523 -173.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . 0.451 ' HB1' ' H ' ' A' ' 925' ' ' LYS . . . -142.61 107.83 4.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.78 -0.368 . . . . 1.59 111.784 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 84.83 45.19 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.381 1.05 . . . . 3.03 111.13 176.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.772 ' HB1' ' HG3' ' A' ' 909' ' ' GLU . . . -100.83 15.27 28.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 2.81 111.071 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.87 86.2 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.686 0.616 . . . . 4.33 111.215 176.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.23 65.67 0.86 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.722 -0.672 . . . . 2.52 110.556 -178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.772 ' HG3' ' HB1' ' A' ' 906' ' ' ALA . 33.9 mp0 -63.82 -27.43 69.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.347 -0.842 . . . . 3.31 110.813 -179.115 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 3.58 110.104 179.041 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 -39.07 64.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 2.7 110.734 179.06 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.9 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -70.67 -27.54 64.11 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.349 -0.54 . . . . 3.07 109.742 178.104 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.724 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -59.74 -43.38 94.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.748 -0.66 . . . . 4.72 110.347 173.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.25 -26.27 67.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 2.18 110.473 174.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.4 mp -71.67 -52.41 18.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.295 0.48 . . . . 2.39 112.295 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.724 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -77.11 -47.73 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 120.09 -0.644 . . . . 3.47 110.608 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 917' ' ' SER . . . . . 0.597 ' HA ' ' NH2' ' A' ' 913' ' ' ARG . 10.4 m 49.07 51.34 16.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.963 1.098 . . . . 1.35 113.963 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.682 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -139.22 12.22 3.29 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.195 -1.002 . . . . 1.02 112.084 171.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.816 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 mtm -87.81 -108.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.465 -0.368 . . . . 2.46 110.843 -172.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.8 t70 159.47 -56.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.464 1.106 . . . . 1.26 109.155 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 921' ' ' SER . . . . . 0.513 ' HB2' HG12 ' A' ' 900' ' ' ILE . 50.7 m -135.47 163.97 28.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 1.26 110.299 -178.042 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 138.93 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 2.14 110.614 -178.184 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -127.87 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.407 . . . . 1.28 109.952 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.516 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.8 OUTLIER -106.45 157.77 17.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.677 -0.238 . . . . 1.11 110.405 179.335 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.579 ' HZ1' ' CG ' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -50.12 -40.97 61.59 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.63 0.974 . . . . 1.69 113.63 -177.463 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 20.7 Cg_exo -68.36 60.1 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.186 1.924 . . . . 1.33 113.308 175.152 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.527 HG13 HG11 ' A' ' 931' ' ' VAL . 0.0 OUTLIER -88.1 98.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.037 0.446 . . . . 1.94 110.283 175.191 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.27 -178.08 6.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.96 -0.564 . . . . 1.48 111.424 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 933' ' ' LYS . 0.7 OUTLIER -57.2 -46.18 83.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.171 -0.468 . . . . 1.47 111.162 -178.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -36.47 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.597 -0.274 . . . . 1.85 111.076 -177.438 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . 0.527 HG11 HG13 ' A' ' 927' ' ' VAL . 61.4 t -62.29 -47.09 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.091 -0.337 . . . . 1.51 110.091 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 933' ' ' LYS . 1.4 tt -67.81 -30.46 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.79 0.328 . . . . 1.69 110.48 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.55 ' N ' HG22 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.09 -48.47 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 2.36 111.698 -177.608 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.9 OUTLIER -67.98 -40.68 83.09 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.608 -0.437 . . . . 2.76 110.643 -178.674 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.9 m -60.68 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.825 0.345 . . . . 1.23 110.901 177.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -63.22 -55.85 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 1.41 111.331 -178.836 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 43.4 m -60.01 -44.13 94.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.076 -0.511 . . . . 1.41 112.094 -174.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -70.59 -37.1 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 1.99 111.734 -176.094 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 0.6 OUTLIER -83.16 -30.51 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.494 -0.482 . . . . 1.99 111.611 -177.059 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 936' ' ' LEU . . . -64.04 -37.66 88.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.743 0.306 . . . . 1.22 110.212 176.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.98 -32.58 59.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 1.87 110.114 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.441 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -62.07 -48.84 78.41 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.376 -0.374 . . . . 3.6 110.292 179.43 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.59 -30.56 39.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.899 0.38 . . . . 1.3 110.408 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.84 77.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 4.16 111.095 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -26.64 36.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.862 0.319 . . . . 3.22 111.862 -177.12 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 25.2 m -76.37 -50.95 12.89 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.711 -0.396 . . . . 1.34 111.267 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 4.07 111.2 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 825' ' ' MET . . . . . 0.521 ' HB3' ' HD2' ' A' ' 849' ' ' TYR . 13.4 ttm . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.282 0.563 . . . . 2.4 110.064 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.559 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 49.2 ttm -86.51 111.12 20.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 2.38 110.862 -178.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.42 HG23 ' HB ' ' A' ' 871' ' ' ILE . 0.2 OUTLIER -106.9 142.96 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.816 -0.629 . . . . 1.17 109.717 177.907 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 872' ' ' VAL . 3.4 mt -94.93 106.57 18.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.591 -0.277 . . . . 1.99 111.144 -178.354 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.462 HG12 HD22 ' A' ' 844' ' ' LEU . 3.0 m -91.17 95.43 5.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.678 0.751 . . . . 1.67 109.617 175.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.675 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 16.6 t -114.06 136.47 50.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.71 -0.677 . . . . 1.56 110.856 -175.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.607 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 2.7 t70 -158.65 131.04 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.884 -0.784 . . . . 1.3 108.884 169.232 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -15.75 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.632 0.605 . . . . 2.03 112.632 -171.249 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 92.96 47.76 Favored Pre-proline 0 C--N 1.328 -0.351 0 O-C-N 121.9 -0.5 . . . . 2.8 110.811 178.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -21.01 -37.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.991 1 C-N-CA 127.562 5.508 . . . . 1.39 118.971 -168.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . 0.512 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -56.3 -46.54 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 119.0 0.818 . . . . 2.71 112.375 -175.237 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -78.5 -29.5 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.855 -0.528 . . . . 2.24 109.882 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.503 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 1.7 ttp180 -58.07 -50.16 74.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 3.21 111.418 175.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.458 -0.337 . . . . 3.24 110.409 -179.777 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.81 78.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 1.72 110.357 176.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.76 -41.41 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.728 -0.669 . . . . 1.99 110.698 179.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.06 74.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 1.25 110.84 178.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.68 -44.52 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.34 110.421 177.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.538 ' HG3' ' CD2' ' A' ' 929' ' ' LEU . 0.9 OUTLIER -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 2.07 110.649 179.293 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 849' ' ' TYR . 27.8 tp -65.8 -33.92 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.976 0.417 . . . . 1.81 110.608 177.337 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.55 72.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.08 -0.581 . . . . 0.56 111.963 176.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.6 m -82.26 -22.04 35.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.085 0.469 . . . . 1.03 110.094 175.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 847' ' ' LEU . 0.4 OUTLIER -75.45 -33.97 60.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.683 -0.69 . . . . 2.14 109.864 175.054 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 97.02 29.75 7.86 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.512 -0.767 . . . . 0.62 112.178 177.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . 0.637 ' HB2' HD12 ' A' ' 844' ' ' LEU . 57.3 m-85 -116.5 156.48 26.83 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.37 -0.132 . . . . 1.67 110.673 -178.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.559 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 58.4 mt-30 -64.91 120.89 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 2.92 110.561 -177.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.41 ' HB3' HG22 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -107.31 100.45 9.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.043 0.449 . . . . 1.39 110.894 -178.898 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.484 ' HD3' ' HG3' ' A' ' 826' ' ' MET . 0.1 OUTLIER -87.9 113.33 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.403 -0.591 . . . . 1.95 109.403 176.916 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.411 HG21 HG21 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -90.64 128.02 36.48 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.615 0.598 . . . . 1.24 112.615 -170.168 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 830' ' ' VAL . . . -143.19 168.63 19.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.34 -0.846 . . . . 1.15 108.909 174.523 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -141.45 72.73 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.042 -0.663 . . . . 2.4 112.373 -178.638 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 5.6 t70 163.76 157.88 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.932 0.893 . . . . 1.45 109.389 174.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 1.004 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -71.25 -39.61 62.04 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.545 -0.836 . . . . 0.66 111.243 177.349 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 35.2 m -72.84 -30.27 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 1.55 110.148 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.664 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 14.0 t0 -60.2 -42.82 95.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.82 -0.627 . . . . 0.84 110.43 177.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.492 ' O ' HG13 ' A' ' 863' ' ' VAL . . . -65.83 -38.96 90.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 1.2 111.252 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.524 HD23 ' HB3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -69.63 -32.91 71.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.904 0.383 . . . . 2.43 110.423 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -42.19 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 2.14 111.073 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 860' ' ' ALA . 10.2 p -72.71 -31.27 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.52 -0.309 . . . . 1.53 110.233 178.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -45.12 83.13 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.169 -0.469 . . . . 2.23 110.727 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -33.02 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.97 111.389 -177.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -36.72 42.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.449 -0.341 . . . . 3.88 111.637 -176.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -111.5 -124.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.192 -0.299 . . . . 1.86 110.192 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -142.19 -73.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.604 -0.517 . . . . 3.83 109.604 178.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.516 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.5 mp 66.8 144.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.64 0.588 . . . . 1.62 111.003 -177.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.37 -49.62 3.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.043 -0.411 . . . . 1.64 111.038 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.42 ' HB ' HG23 ' A' ' 827' ' ' ILE . 4.8 mt -125.28 137.14 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.524 -0.307 . . . . 1.68 110.288 179.495 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.603 HG23 HD12 ' A' ' 897' ' ' LEU . 46.6 t -114.61 131.09 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.775 -0.193 . . . . 1.3 111.437 -177.402 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 99.2 6.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.16 -0.681 . . . . 1.46 109.16 171.515 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.675 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.8 p -104.1 106.22 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.728 0.299 . . . . 1.37 110.896 -176.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 49.5 t0 -99.72 138.97 36.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 1.34 110.572 178.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.184 -0.462 . . . . 1.82 110.363 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.734 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.9 p90 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.494 0.664 . . . . 3.02 110.925 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -59.39 -26.84 65.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.68 0.752 . . . . 3.74 111.803 -164.233 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 1.004 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -79.26 -24.57 42.9 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.613 -0.884 . . . . 2.82 108.613 -171.352 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.653 ' HA ' HD12 ' A' ' 890' ' ' ILE . 17.3 m -73.48 -28.82 62.14 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.065 -1.425 . . . . 1.55 109.268 175.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.622 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 3.2 tp-100 -59.84 -41.96 92.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.412 -0.813 . . . . 2.4 109.093 173.429 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.524 ' HB3' HD23 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -61.26 -36.43 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.499 -0.773 . . . . 2.86 110.653 174.734 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 887' ' ' THR . 88.1 mt -65.25 -37.97 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.324 -0.398 . . . . 2.15 110.978 176.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.431 ' NH2' HE22 ' A' ' 888' ' ' GLN . 0.0 OUTLIER -64.19 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 2.75 110.686 178.501 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -80.42 -29.99 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.773 -0.649 . . . . 3.05 110.241 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -46.53 74.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.609 -0.723 . . . . 2.43 109.972 176.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 124.6 78.14 0.34 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.962 -0.637 . . . . 1.12 111.758 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.655 HD23 ' HA2' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -78.91 136.12 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.258 0.552 . . . . 3.34 111.03 -178.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.92 29.04 0.91 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.547 -0.752 . . . . 2.85 109.25 172.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.603 HD12 HG23 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -145.27 153.79 52.87 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.836 -1.074 . . . . 1.91 109.502 -176.589 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.42 117.34 5.0 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.833 2.355 . . . . 1.09 112.676 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.824 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -111.16 122.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.389 0.614 . . . . 1.31 110.562 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.46 111.45 36.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.856 -0.611 . . . . 1.28 109.771 177.201 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.44 108.59 3.69 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.698 -0.763 . . . . 0.51 112.702 -175.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 2.9 t -80.46 120.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.761 -0.829 . . . . 1.64 108.761 174.558 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.7 p -136.48 151.87 49.93 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.29 -0.564 . . . . 1.35 111.951 -172.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -79.34 165.07 23.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 1.59 109.407 171.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.85 -74.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.522 0.514 . . . . 3.03 110.295 -177.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 54.59 43.88 29.55 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.991 0.516 . . . . 2.81 112.066 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 2.0 mp -98.29 -41.18 7.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.443 . . . . 4.33 110.142 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -111.47 47.16 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.656 . . . . 2.52 110.204 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -39.06 78.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 3.31 110.814 -177.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.23 -42.15 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.054 0.454 . . . . 3.58 109.882 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -42.16 89.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.556 -0.747 . . . . 2.7 110.971 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.734 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 5.0 mt-30 -72.58 -35.31 67.89 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.299 -0.56 . . . . 3.07 111.07 -177.05 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.759 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 2.1 ttp-105 -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.367 . . . . 4.72 110.93 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 28.4 m -74.75 -28.01 60.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.138 0.494 . . . . 2.18 109.81 174.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.647 ' HB3' ' CE2' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -72.2 -52.88 14.47 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.665 -0.698 . . . . 2.39 112.329 -178.605 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.759 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -78.65 -37.7 41.35 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.006 -0.678 . . . . 3.47 110.467 -178.025 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 47.74 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.901 0.75 . . . . 1.35 112.373 177.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . 0.655 ' HA2' HD23 ' A' ' 895' ' ' LEU . . . -144.7 11.91 1.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.106 -1.045 . . . . 1.02 112.635 176.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.824 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -100.22 -116.21 0.16 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.081 0.467 . . . . 2.46 111.652 -173.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.495 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.9 t70 172.49 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.14 -1.43 . . . . 1.26 107.14 -178.049 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 5.5 m -148.66 159.77 43.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.111 -0.949 . . . . 1.26 109.854 176.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.419 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 62.4 m -114.73 150.59 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.664 0.269 . . . . 2.14 110.603 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 5.9 mt -131.37 167.72 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.856 -0.424 . . . . 1.28 109.856 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.99 143.81 25.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.437 -0.347 . . . . 1.11 110.309 178.558 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.623 ' HZ3' ' CG ' ' A' ' 875' ' ' ASP . 2.4 tttp -48.54 -50.16 60.33 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 113.437 0.903 . . . . 1.69 113.437 -178.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.0 Cg_exo -75.34 58.6 5.16 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.339 2.026 . . . . 1.33 113.313 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -73.02 146.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 1.94 110.603 175.414 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.18 179.85 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 1.48 111.263 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.538 ' CD2' ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -62.56 -47.98 81.47 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.686 0.279 . . . . 1.47 111.714 -172.462 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.23 -41.95 63.16 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.846 -0.342 . . . . 1.85 110.429 -175.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.14 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.939 -0.573 . . . . 1.51 110.539 177.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.48 HG23 HD23 ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.82 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 1.69 110.146 176.754 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -48.21 76.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 2.36 111.846 -178.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.83 80.04 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.952 0.406 . . . . 2.76 110.556 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 4.1 m -63.05 -45.52 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.988 -0.551 . . . . 1.23 111.749 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -65.41 -46.19 80.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.717 -0.22 . . . . 1.41 111.134 -178.418 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 48.2 m -62.97 -42.04 99.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.408 -0.36 . . . . 1.41 111.041 -178.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 1.99 111.263 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 942' ' ' ARG . 7.9 m-85 -78.31 -34.11 48.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 1.99 111.063 -178.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -62.72 -42.92 99.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 1.22 110.513 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.64 -24.55 58.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.441 -0.345 . . . . 1.87 110.373 177.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -67.06 -47.97 69.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 3.6 110.241 177.555 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 940' ' ' ALA . 22.8 m -73.25 -30.81 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 1.3 110.226 178.377 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -63.94 -46.9 82.65 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.142 -0.481 . . . . 4.16 110.688 177.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -72.33 -24.74 61.35 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.135 -0.226 . . . . 3.22 111.303 -179.121 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.7 m -81.51 -23.69 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 1.34 111.512 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 4.07 111.088 -178.605 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.054 -0.721 . . . . 2.4 109.054 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.893 ' HG2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.14 114.34 26.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.166 0.508 . . . . 2.38 111.189 -172.798 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.541 HG23 HD12 ' A' ' 827' ' ' ILE . 1.4 mm -112.41 131.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.032 -0.531 . . . . 1.17 110.53 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 860' ' ' ALA . 11.3 tp -102.17 118.42 36.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.986 -0.552 . . . . 1.99 110.117 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -112.51 116.99 54.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 1.67 110.233 -176.847 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.956 HG12 ' HB3' ' A' ' 854' ' ' ALA . 7.5 m -123.08 140.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.836 -0.346 . . . . 1.56 110.643 176.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.536 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 7.8 t70 -143.99 131.76 21.37 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 1.3 108.885 169.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -74.88 21.06 0.12 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.47 0.652 . . . . 2.03 111.834 -178.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . 0.645 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 6.9 m80 -140.9 161.86 51.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.411 -0.959 . . . . 2.8 108.411 179.133 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.87 -27.91 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.176 1.918 . . . . 1.39 112.733 177.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -48.87 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.127 0.417 . . . . 2.71 112.127 -173.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -26.37 29.34 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.415 -0.514 . . . . 2.24 110.215 -177.068 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.645 ' HB2' ' O ' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -53.73 -47.72 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.3 0.571 . . . . 3.21 109.754 171.574 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.561 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.86 -49.97 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.215 -0.902 . . . . 3.24 110.692 178.105 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.561 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -69.89 -40.56 75.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.92 -0.582 . . . . 1.72 112.263 -169.507 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 829' ' ' VAL . 27.4 tp -71.16 -36.21 71.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.994 -0.548 . . . . 1.99 110.254 -179.36 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 1.25 110.155 174.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.7 -56.21 24.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.449 -0.796 . . . . 1.34 110.009 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.648 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.88 -38.03 89.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 2.07 111.298 -178.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.469 HD23 ' HB ' ' A' ' 827' ' ' ILE . 36.9 tp -65.39 -33.94 77.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 1.81 110.43 177.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.56 -38.46 94.73 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.903 -0.665 . . . . 0.56 111.701 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.2 m -69.33 -29.42 67.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 1.03 110.732 177.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -30.67 71.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.276 0.56 . . . . 2.14 110.424 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.27 32.02 15.13 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.62 112.337 177.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -113.83 164.9 13.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.219 -0.289 . . . . 1.67 110.219 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 118.09 10.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.501 -0.318 . . . . 2.92 110.231 178.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.401 ' HA ' HD22 ' A' ' 844' ' ' LEU . 2.3 m -100.56 118.49 36.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.76 0.314 . . . . 1.39 111.375 -176.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 110.9 16.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.2 -0.667 . . . . 1.95 109.2 174.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 829' ' ' VAL . 0.2 OUTLIER -96.52 142.12 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.514 0.673 . . . . 1.24 112.734 -172.619 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.956 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -149.99 -168.3 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.875 -1.057 . . . . 1.15 108.563 174.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 18.1 p-10 -157.06 73.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.15 -0.62 . . . . 2.4 111.164 -176.058 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.991 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 11.6 t0 163.43 148.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.078 -0.965 . . . . 1.45 109.019 177.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.432 ' H ' HD22 ' A' ' 886' ' ' LEU . . . -73.24 -38.36 54.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.626 -0.797 . . . . 0.66 111.783 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.956 ' HA ' HD22 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.97 -31.69 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.182 -0.303 . . . . 1.55 110.182 177.761 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.991 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.2 OUTLIER -67.17 -27.64 67.46 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.84 110.181 175.748 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.451 ' HA ' HD23 ' A' ' 828' ' ' LEU . . . -62.0 -52.57 63.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.705 -0.68 . . . . 1.2 110.665 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.956 HD22 ' HA ' ' A' ' 858' ' ' VAL . 1.2 pp -72.73 -28.05 62.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 2.43 110.691 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.16 -44.46 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 2.14 109.767 173.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -32.76 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.539 -0.755 . . . . 1.53 110.322 177.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.484 HD23 ' HB ' ' A' ' 869' ' ' ILE . 0.3 OUTLIER -63.7 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 2.23 110.582 176.461 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 1.3 m -80.92 -19.15 44.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.157 0.503 . . . . 0.97 110.654 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -77.88 -48.38 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 3.88 110.495 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -128.97 -104.84 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 1.86 110.127 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -178.14 144.9 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.261 -0.644 . . . . 3.83 109.261 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.893 HG13 ' HG2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -150.84 148.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.362 -0.607 . . . . 1.62 109.362 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.504 ' N ' HG23 ' A' ' 869' ' ' ILE . 10.6 m-20 -91.26 -46.37 8.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.64 111.055 -175.57 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.482 ' HB ' HG23 ' A' ' 827' ' ' ILE . 11.8 mm -120.56 125.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.227 -0.442 . . . . 1.68 110.486 -179.133 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 869' ' ' ILE . 75.8 t -108.36 132.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.796 -0.184 . . . . 1.3 110.983 -178.543 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -127.23 113.84 16.86 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.093 -0.336 . . . . 1.46 110.093 174.5 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.737 ' HA ' ' CG2' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -107.6 101.67 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 1.37 111.301 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.771 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 39.2 t0 -81.62 108.72 15.41 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.498 0.666 . . . . 1.34 110.682 178.476 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.028 -0.987 . . . . 1.82 111.233 -175.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.675 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 25.1 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.902 0.858 . . . . 3.02 110.204 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.549 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.23 -24.64 28.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.16 0.981 . . . . 3.74 110.09 -174.478 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -62.66 -35.68 80.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.682 -1.145 . . . . 2.82 108.598 -175.768 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.708 ' HA ' HD11 ' A' ' 890' ' ' ILE . 54.2 m -76.23 -27.02 56.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.469 -1.696 . . . . 1.55 109.502 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 23.7 tp60 -58.92 -36.37 74.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 2.4 109.542 174.493 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.471 ' O ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -66.94 -38.8 86.81 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.396 -0.365 . . . . 2.86 110.099 174.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 887' ' ' THR . 8.9 mt -55.22 -48.47 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.211 -0.449 . . . . 2.15 110.703 175.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -65.44 -38.89 91.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 2.75 110.446 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -42.57 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 3.05 110.785 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . 0.441 ' HB3' HD11 ' A' ' 895' ' ' LEU . 1.9 tt -71.5 -47.71 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 2.43 110.092 177.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.52 24.09 2.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.478 -0.867 . . . . 1.12 112.559 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 861' ' ' LEU . 0.9 OUTLIER -83.69 120.87 26.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 3.34 109.875 178.534 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.9 t -115.57 9.72 15.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.353 0.597 . . . . 2.85 110.937 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.49 ' HB2' ' HD2' ' A' ' 898' ' ' PRO . 0.4 OUTLIER -72.66 159.0 86.44 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.195 179.349 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 897' ' ' LEU . 18.5 Cg_endo -59.76 104.88 0.24 Allowed 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.811 2.341 . . . . 1.09 113.038 -177.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.802 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 43.1 t -105.16 115.69 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.993 -0.549 . . . . 1.31 110.169 175.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 2.0 mt -106.38 110.35 31.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.995 -0.548 . . . . 1.28 109.826 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -88.45 122.33 6.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.608 -0.806 . . . . 0.51 112.259 -177.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.771 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 3.0 t -82.6 94.04 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.497 -0.927 . . . . 1.64 108.497 174.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 16.8 p -101.91 124.47 47.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.001 -0.545 . . . . 1.35 111.748 -171.02 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.35 15.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 1.59 110.067 174.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 56.91 70.03 0.69 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.857 0.723 . . . . 3.03 111.563 -178.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 903' ' ' THR . . . -104.49 27.95 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 2.81 110.072 176.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.471 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.1 OUTLIER 57.63 -110.8 0.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 4.33 110.342 -175.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . 0.471 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -101.91 92.67 4.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.744 -0.465 . . . . 2.52 109.744 175.582 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.55 83.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 3.31 111.816 -174.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -36.24 74.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 3.58 110.902 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . 0.464 ' HE2' HD11 ' A' ' 915' ' ' LEU . 2.8 tttt -71.57 -39.56 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.337 -0.392 . . . . 2.7 110.442 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.675 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.6 mp0 -69.88 -29.61 66.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.585 -0.524 . . . . 3.07 109.585 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.502 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 11.4 mtm-85 -68.33 -26.37 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 4.72 110.548 176.01 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -72.99 -29.09 62.78 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.647 -0.501 . . . . 2.18 109.647 172.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.464 HD11 ' HE2' ' A' ' 911' ' ' LYS . 41.6 mt -73.13 -54.28 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 2.39 112.18 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.31 -43.9 22.68 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 3.47 111.321 -178.107 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 40.0 m 51.14 51.96 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.604 0.964 . . . . 1.35 113.604 175.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -146.11 11.82 1.62 Allowed Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.301 -0.952 . . . . 1.02 111.889 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.802 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.2 OUTLIER -91.83 -117.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.036 0.446 . . . . 2.46 111.471 -173.51 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.451 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.1 t70 172.61 -57.92 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.482 -0.781 . . . . 1.26 109.056 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 43.1 m -148.65 156.54 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.213 -0.903 . . . . 1.26 110.251 -177.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.445 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 98.4 m -125.73 134.39 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.837 0.351 . . . . 2.14 110.696 178.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.418 HD12 HG23 ' A' ' 900' ' ' ILE . 19.1 mt -118.33 -178.26 3.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.546 . . . . 1.28 109.549 177.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 6.7 m -106.14 155.24 19.64 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.061 -0.348 . . . . 1.11 110.061 176.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.547 ' HA ' HG11 ' A' ' 902' ' ' VAL . 19.0 tttp -53.03 -47.88 94.01 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.078 0.77 . . . . 1.69 113.078 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 60.0 Cg_endo -72.6 66.13 3.8 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.0 1.8 . . . . 1.33 113.012 177.158 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.416 ' HB ' HD11 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -79.04 116.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.198 0.523 . . . . 1.94 110.319 176.851 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.06 166.12 17.97 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.836 -0.62 . . . . 1.48 110.531 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.648 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -58.68 -37.75 76.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.97 0.415 . . . . 1.47 110.071 177.324 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.71 -56.96 15.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.593 -0.731 . . . . 1.85 110.292 -178.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 46.5 t -60.9 -46.19 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.475 -0.784 . . . . 1.51 110.956 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.631 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 5.4 mt -57.73 -43.62 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 1.69 111.095 -178.148 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -48.25 70.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.793 0.294 . . . . 2.36 111.793 -176.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -41.97 88.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 2.76 111.202 -176.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.9 m -72.89 -41.99 64.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.599 0.222 . . . . 1.23 111.599 -178.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.631 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -67.07 -49.04 66.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.471 0.177 . . . . 1.41 110.799 -176.833 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 6.6 m -65.55 -36.45 83.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.508 -0.314 . . . . 1.41 111.038 -178.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.57 -41.79 98.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.804 0.335 . . . . 1.99 110.793 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -82.93 -28.63 29.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.441 -0.345 . . . . 1.99 111.265 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 943' ' ' VAL . . . -66.95 -43.03 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.526 -0.546 . . . . 1.22 109.526 174.623 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.98 76.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.87 109.421 174.09 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -59.49 -47.59 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 3.6 110.916 -178.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 940' ' ' ALA . 2.5 m -74.85 -33.63 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.859 -0.337 . . . . 1.3 110.747 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.93 98.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 4.16 110.811 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -18.76 37.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.633 0.254 . . . . 3.22 110.985 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 31.2 m -65.72 -33.38 75.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.138 0.494 . . . . 1.34 109.85 175.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 4.07 109.855 172.761 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 121.102 0.477 . . . . 2.4 110.306 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.426 ' O ' HG21 ' A' ' 869' ' ' ILE . 0.8 OUTLIER -83.54 121.54 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 2.38 110.659 179.232 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.798 ' HB ' HD22 ' A' ' 844' ' ' LEU . 1.5 mm -118.57 143.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 1.17 109.947 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.727 HD11 HG21 ' A' ' 872' ' ' VAL . 0.8 OUTLIER -99.51 103.8 15.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.381 -0.372 . . . . 1.99 110.76 -178.756 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.765 HG13 HD23 ' A' ' 844' ' ' LEU . 1.1 m -88.54 95.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.711 0.767 . . . . 1.67 109.648 175.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.0 t -106.75 131.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.38 -0.827 . . . . 1.56 109.857 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.582 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 0.8 OUTLIER -157.07 135.32 11.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.033 -0.358 . . . . 1.3 110.033 171.883 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -4.3 58.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.114 -0.494 . . . . 2.03 112.197 -174.126 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -118.86 85.28 27.92 Favored Pre-proline 0 N--CA 1.465 0.29 0 O-C-N 122.042 -0.412 . . . . 2.8 110.791 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -22.43 -49.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 126.506 4.804 . . . . 1.39 117.561 -168.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -36.67 48.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 118.242 0.474 . . . . 2.71 111.74 -177.331 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -44.44 61.02 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.747 -0.464 . . . . 2.24 109.747 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . 0.642 ' HD3' HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -53.97 -40.84 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.006 0.522 . . . . 3.21 110.908 175.489 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.82 -51.35 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 3.24 110.485 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -78.09 -25.45 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.852 -0.613 . . . . 1.72 111.072 -173.769 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.69 -43.44 65.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.563 -0.744 . . . . 1.99 109.951 178.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.56 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.872 -0.603 . . . . 1.25 110.114 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.83 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 1.34 109.772 175.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.634 ' HG2' HG23 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -58.78 -47.95 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 2.07 110.858 178.129 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.798 HD22 ' HB ' ' A' ' 827' ' ' ILE . 16.1 tp -61.78 -37.55 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 1.81 111.229 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -27.01 72.43 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.009 -0.615 . . . . 0.56 112.02 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.7 m -77.02 -25.08 52.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 1.03 110.158 176.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 849' ' ' TYR . 4.0 mt -77.81 -24.36 48.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 2.14 110.373 176.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 88.37 21.14 45.86 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.828 -0.701 . . . . 0.62 112.759 177.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 847' ' ' LEU . 18.7 m-85 -105.41 171.11 7.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.764 0.316 . . . . 1.67 110.437 179.245 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.63 118.66 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 2.92 110.748 -178.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . 0.563 ' HA ' HD21 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.51 99.81 11.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.4 . . . . 1.39 111.211 -179.45 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -89.02 122.33 32.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.307 -0.627 . . . . 1.95 109.307 175.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.642 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.45 137.72 32.13 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 1.24 112.567 -171.217 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.535 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -155.67 168.3 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.178 -0.675 . . . . 1.15 109.178 173.714 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.584 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 8.1 p-10 -151.46 73.18 1.07 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.025 -0.67 . . . . 2.4 112.782 -177.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 31.3 t70 163.73 157.73 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.663 0.785 . . . . 1.45 109.518 173.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.45 -50.07 57.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.86 . . . . 0.66 111.944 178.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -74.0 -28.5 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.768 0.318 . . . . 1.55 110.763 179.377 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.729 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 27.6 t0 -57.08 -34.41 68.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.352 -0.386 . . . . 0.84 110.527 176.358 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.73 -33.63 70.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 1.2 110.699 177.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 858' ' ' VAL . 7.4 mp -71.07 -41.08 71.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 2.43 110.246 178.426 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -51.93 67.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.484 -0.78 . . . . 2.14 110.557 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.456 HG12 HD13 ' A' ' 828' ' ' LEU . 7.7 p -69.38 -32.34 52.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.389 -0.369 . . . . 1.53 110.934 -179.503 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 0.595 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -64.03 -38.02 89.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.16 0.505 . . . . 2.23 111.079 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.1 m -72.6 -30.51 64.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.97 110.856 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -38.84 47.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 3.88 110.924 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -145.29 130.44 18.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.623 -0.51 . . . . 1.86 109.623 178.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 84.1 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.121 0.486 . . . . 3.83 111.702 -174.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.571 HD13 ' HG ' ' A' ' 828' ' ' LEU . 2.8 mp -68.64 147.6 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.153 -0.93 . . . . 1.62 109.871 171.351 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.86 -52.81 5.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.974 0.416 . . . . 1.64 111.796 -174.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.421 HD12 ' HB3' ' A' ' 939' ' ' TYR . 18.9 mm -108.49 121.49 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.592 -0.276 . . . . 1.68 110.425 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.727 HG21 HD11 ' A' ' 828' ' ' LEU . 13.2 t -110.13 132.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.887 -0.325 . . . . 1.3 110.862 -178.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.868 HD21 HD11 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -130.33 111.16 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.79 -0.448 . . . . 1.46 109.79 173.12 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.572 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -102.49 102.66 12.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.37 111.201 -176.383 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 50.4 t0 -89.16 120.84 30.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.703 -0.68 . . . . 1.34 110.052 176.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 1.82 110.857 -176.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.744 ' HB3' ' HG3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 122.668 1.223 . . . . 3.02 112.013 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.698 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.46 -26.19 68.61 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.323 -0.853 . . . . 3.74 112.95 -158.109 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -70.12 -31.0 68.33 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.329 1.061 . . . . 2.82 108.355 -169.184 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.774 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 2.9 m -79.23 -26.83 42.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.815 -1.538 . . . . 1.55 109.182 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -60.79 -45.82 92.9 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.586 -0.734 . . . . 2.4 109.808 177.004 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.03 83.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.44 -0.8 . . . . 2.86 110.371 175.241 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 887' ' ' THR . 71.4 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.881 0.372 . . . . 2.15 111.076 175.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 2.75 110.67 178.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -61.3 -36.06 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 3.05 110.485 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -38.49 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 2.43 110.805 177.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 87.71 56.01 2.19 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.853 -0.899 . . . . 1.12 110.853 -172.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.95 134.99 5.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.276 0.631 . . . . 3.34 112.464 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.22 22.9 13.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.546 -0.752 . . . . 2.85 110.278 176.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 864' ' ' LEU . 0.4 OUTLIER -157.93 156.23 27.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 1.91 109.937 -175.633 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.731 ' HB2' ' HE2' ' A' ' 939' ' ' TYR . 3.1 Cg_exo -75.92 138.33 20.75 Favored 'Trans proline' 0 C--O 1.244 0.778 0 C-N-CA 122.962 2.441 . . . . 1.09 112.813 -177.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.724 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 41.6 t -116.12 125.77 73.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.794 -0.639 . . . . 1.31 111.52 -178.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.868 HD11 HD21 ' A' ' 873' ' ' LEU . 0.8 OUTLIER -103.55 108.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.72 . . . . 1.28 109.646 175.1 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.96 109.75 3.47 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.409 -0.9 . . . . 0.51 112.18 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.7 OUTLIER -90.33 94.81 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.774 -0.824 . . . . 1.64 108.774 176.048 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 903' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.8 OUTLIER -102.21 138.59 38.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.166 -0.47 . . . . 1.35 111.736 -172.214 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -89.68 104.26 16.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 1.59 110.539 176.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 24.3 t30 55.13 49.39 17.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.375 -0.829 . . . . 3.03 112.276 176.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -92.29 83.68 5.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 2.81 109.777 176.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 132.25 27.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.837 -0.62 . . . . 4.33 111.096 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 61.83 56.52 2.37 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.815 -0.63 . . . . 2.52 110.613 -177.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -38.07 76.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.719 -0.673 . . . . 3.31 110.657 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 910' ' ' GLU . 2.4 pm0 -62.15 -30.95 71.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 3.58 110.575 179.11 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -77.65 -30.8 52.32 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.474 -0.33 . . . . 2.7 110.761 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.744 ' HG3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -66.82 -40.57 88.09 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.312 -1.366 . . . . 3.07 107.312 172.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.657 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 5.4 ttp180 -58.25 -30.24 66.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.552 -0.749 . . . . 4.72 111.501 178.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 59.0 m -68.34 -39.75 81.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 2.18 110.233 173.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 915' ' ' LEU . 0.2 OUTLIER -72.97 -54.5 8.46 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.444 0.535 . . . . 2.39 112.444 -177.849 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.774 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.89 -46.06 17.49 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.339 -0.144 . . . . 3.47 111.387 -175.941 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 36.4 m 51.56 52.18 15.21 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.465 0.913 . . . . 1.35 113.465 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -142.96 24.38 2.26 Favored Glycine 0 C--O 1.227 -0.323 0 C-N-CA 120.198 -1.001 . . . . 1.02 112.581 176.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.724 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 ttm -107.06 -118.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.528 0.204 . . . . 2.46 111.443 -174.125 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 919' ' ' MET . 26.2 t0 166.65 -56.87 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.044 0.938 . . . . 1.26 108.853 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.3 m -138.04 157.1 47.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.47 -0.786 . . . . 1.26 110.059 177.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.54 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 39.2 m -127.86 144.32 51.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 2.14 110.981 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.01 -175.51 4.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.732 -0.84 . . . . 1.28 108.732 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 924' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 903' ' ' THR . 75.2 m -120.75 160.24 23.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.358 -0.238 . . . . 1.11 110.358 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.562 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 1.3 tttp -44.94 -47.29 30.1 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.225 0.824 . . . . 1.69 113.225 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 23.4 Cg_exo -66.92 72.44 0.47 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.314 2.009 . . . . 1.33 112.744 175.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.75 155.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 1.94 110.062 174.278 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.16 171.13 14.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.204 . . . . 1.48 110.877 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.621 HD21 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -57.93 -46.89 84.33 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.56 0.344 . . . . 1.47 111.803 -175.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.61 -41.22 79.87 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.886 -0.326 . . . . 1.85 110.802 -177.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.08 -45.02 99.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 1.51 110.483 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.634 HG23 ' HG2' ' A' ' 843' ' ' GLN . 2.2 tt -67.17 -32.1 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.887 -0.597 . . . . 1.69 110.527 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.527 ' HB3' ' HE2' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -65.95 -41.19 91.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 2.36 109.962 177.488 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -60.97 -45.1 96.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 2.76 110.615 179.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -44.95 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.23 110.978 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 932' ' ' ILE . 0.7 OUTLIER -58.56 -52.28 66.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 1.41 111.138 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 58.0 m -61.61 -43.55 98.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.988 -0.551 . . . . 1.41 111.359 -178.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -45.14 88.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 1.99 110.958 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.731 ' HE2' ' HB2' ' A' ' 898' ' ' PRO . 6.1 m-85 -69.76 -53.14 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 1.99 111.322 -176.648 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -56.65 -41.92 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.22 111.016 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.01 -48.43 76.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.342 -0.39 . . . . 1.87 110.853 178.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 942' ' ' ARG . 5.5 ptm180 -65.46 -36.48 84.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 3.6 111.587 -173.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 26.4 m -77.03 -31.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.514 -0.474 . . . . 1.3 110.429 179.028 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -49.77 60.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.213 -0.449 . . . . 4.16 110.764 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.09 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 3.22 111.443 -175.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -76.02 -51.62 11.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.874 -0.33 . . . . 1.34 110.99 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 4.07 111.188 -176.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.551 -0.537 . . . . 2.4 109.551 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 826' ' ' MET . . . . . 0.525 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -101.93 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 2.38 110.562 -178.333 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 827' ' ' ILE . . . . . 0.478 ' HB ' HD22 ' A' ' 844' ' ' LEU . 1.6 mm -110.01 141.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.015 -0.993 . . . . 1.17 109.747 -179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 872' ' ' VAL . 1.1 mt -94.74 111.74 23.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.328 -0.397 . . . . 1.99 110.806 -179.119 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.489 ' H ' HG11 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -97.98 104.21 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.981 -0.748 . . . . 1.67 108.981 175.154 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 830' ' ' VAL . . . . . 0.823 HG23 ' HB2' ' A' ' 860' ' ' ALA . 0.7 OUTLIER -119.84 89.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.548 -0.751 . . . . 1.56 111.347 -172.127 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.664 ' OD2' ' HB2' ' A' ' 836' ' ' ASN . 9.3 t0 -111.88 134.4 53.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.362 -0.535 . . . . 1.3 110.23 -178.425 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 832' ' ' ASP . . . . . 0.612 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -68.85 -29.81 68.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.536 -0.756 . . . . 2.03 111.34 -178.901 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.62 122.77 40.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 2.8 110.833 -176.371 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -47.72 -40.88 31.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.819 3.013 . . . . 1.39 114.083 -175.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -47.06 95.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.646 0.26 . . . . 2.71 111.662 -175.185 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 836' ' ' ASN . . . . . 0.664 ' HB2' ' OD2' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -82.51 -22.23 35.16 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.537 -0.465 . . . . 2.24 110.191 -178.247 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.12 -52.17 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 3.21 110.433 176.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -32.94 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 3.24 110.902 -179.213 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -38.81 75.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 1.72 111.224 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 25.9 tp -70.94 -37.6 72.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.083 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.66 71.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 1.25 110.111 175.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.79 -45.43 78.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 1.34 109.946 175.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 843' ' ' GLN . . . . . 0.436 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.1 OUTLIER -57.49 -47.12 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 2.07 110.258 176.133 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.478 HD22 ' HB ' ' A' ' 827' ' ' ILE . 5.6 tp -62.15 -41.24 98.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.81 110.926 179.391 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.27 -30.55 78.02 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.56 112.089 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 -25.28 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 1.03 110.379 177.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 847' ' ' LEU . . . . . 0.528 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -73.87 -40.66 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 2.14 110.216 175.564 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 107.02 13.67 20.94 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.785 -0.643 . . . . 0.62 112.104 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -105.28 156.02 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.611 0.243 . . . . 1.67 110.51 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 850' ' ' GLN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -63.96 132.01 49.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.92 110.784 -177.658 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 101.94 9.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 1.39 110.731 -178.572 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 852' ' ' LYS . . . . . 0.481 ' HG2' HD12 ' A' ' 869' ' ' ILE . 1.2 mptt -89.86 110.97 21.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.171 -0.678 . . . . 1.95 109.171 176.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 853' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -89.92 126.83 35.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.038 0.447 . . . . 1.24 111.926 -171.075 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -142.66 177.65 8.17 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.767 -0.651 . . . . 1.15 110.332 178.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 855' ' ' ASN . . . . . 0.612 ' OD1' ' HA ' ' A' ' 832' ' ' ASP . 4.6 t30 -153.69 74.16 0.99 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.117 0.484 . . . . 2.4 110.064 -174.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 856' ' ' ASP . . . . . 0.777 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 9.7 t70 160.14 143.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.57 -1.196 . . . . 1.45 108.848 173.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.641 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -65.6 -40.75 96.16 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.372 -0.918 . . . . 0.66 112.072 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -31.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 1.55 110.334 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 859' ' ' ASP . . . . . 0.777 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 36.0 t0 -60.64 -40.79 93.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.402 . . . . 0.84 110.425 175.423 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.823 ' HB2' HG23 ' A' ' 830' ' ' VAL . . . -63.37 -43.05 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.772 -0.649 . . . . 1.2 110.981 178.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -34.86 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.102 -0.499 . . . . 2.43 110.848 -178.023 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -42.2 80.05 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.467 0.651 . . . . 2.14 110.045 176.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 863' ' ' VAL . 1.8 t -61.66 -32.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 1.53 109.581 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 864' ' ' LEU . . . . . 1.039 ' HG ' HD21 ' A' ' 897' ' ' LEU . 1.8 tm? -68.14 -36.09 79.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.644 -0.707 . . . . 2.23 111.232 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -41.94 84.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.766 0.317 . . . . 0.97 110.864 -176.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -31.72 25.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 3.88 111.378 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 867' ' ' ASN . . . . . 0.791 HD21 HD13 ' A' ' 869' ' ' ILE . 9.3 t30 -128.52 121.31 28.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.968 0.414 . . . . 1.86 110.658 -177.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -78.34 78.58 4.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.053 -0.521 . . . . 3.83 111.742 -174.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 869' ' ' ILE . . . . . 0.791 HD13 HD21 ' A' ' 867' ' ' ASN . 0.2 OUTLIER -71.91 147.41 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.882 -0.599 . . . . 1.62 109.761 175.571 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 870' ' ' ASP . . . . . 0.518 ' N ' HG23 ' A' ' 869' ' ' ILE . 1.1 m-20 -84.71 -60.36 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 1.64 111.317 -174.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.434 HD13 ' HG2' ' A' ' 898' ' ' PRO . 8.2 mm -115.06 143.55 24.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.883 -0.414 . . . . 1.68 109.883 -179.076 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.708 HG21 HD23 ' A' ' 897' ' ' LEU . 92.9 t -124.17 127.4 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.741 -0.384 . . . . 1.3 111.268 -178.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.65 99.35 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.514 -0.55 . . . . 1.46 109.514 173.085 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.6 p -97.75 103.92 15.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.08 0.467 . . . . 1.37 110.016 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 875' ' ' ASP . . . . . 0.461 ' CG ' ' HZ3' ' A' ' 925' ' ' LYS . 30.5 t0 -90.78 114.24 26.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.427 -0.806 . . . . 1.34 110.187 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 115.571 -0.74 . . . . 1.82 110.561 -177.191 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 884' ' ' TYR . . . . . 0.98 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 24.0 p90 . . . . . 0 C--O 1.241 0.634 0 CA-C-O 122.867 1.318 . . . . 3.02 109.908 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 885' ' ' ARG . . . . . 0.605 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.38 -25.02 65.56 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.862 -1.517 . . . . 3.74 111.049 -163.242 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . 0.641 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.4 OUTLIER -68.39 -34.95 76.94 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.052 0.93 . . . . 2.82 108.768 -170.874 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 887' ' ' THR . . . . . 0.725 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.1 m -73.8 -26.93 60.87 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.911 -1.495 . . . . 1.55 109.702 178.312 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -59.46 -46.54 88.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.678 -0.692 . . . . 2.4 110.054 175.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -62.24 -35.21 78.23 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.046 -0.525 . . . . 2.86 110.615 176.485 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 890' ' ' ILE . . . . . 0.63 HD13 ' HA ' ' A' ' 887' ' ' THR . 89.2 mt -62.43 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 2.15 110.781 177.284 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.587 ' HA ' HD21 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -67.79 -38.98 84.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 2.75 110.64 179.11 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 892' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 1.5 tp60 -59.39 -46.11 89.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 3.05 110.719 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.614 -0.721 . . . . 2.43 111.423 -177.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 101.24 81.16 1.56 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.607 -0.806 . . . . 1.12 111.136 -176.083 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 895' ' ' LEU . . . . . 0.587 HD21 ' HA ' ' A' ' 891' ' ' ARG . 0.4 OUTLIER -82.27 160.82 22.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.694 0.759 . . . . 3.34 112.651 -172.345 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 896' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 896' ' ' THR . 1.2 m -128.7 -4.74 5.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.248 -1.342 . . . . 2.85 107.849 172.585 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 1.039 HD21 ' HG ' ' A' ' 864' ' ' LEU . 0.9 OUTLIER -80.07 147.93 66.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 113.726 -1.579 . . . . 1.91 112.894 -167.225 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 898' ' ' PRO . . . . . 0.504 ' HB2' ' HD2' ' A' ' 939' ' ' TYR . 3.0 Cg_endo -87.97 98.31 0.42 Allowed 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.285 2.656 . . . . 1.09 109.471 162.545 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 899' ' ' VAL . . . . . 0.774 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.1 t -99.32 115.56 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.371 0.605 . . . . 1.31 111.755 -172.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . 0.651 HD13 HG22 ' A' ' 935' ' ' THR . 0.1 OUTLIER -101.32 104.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.332 -0.849 . . . . 1.28 109.406 174.184 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 901' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 922' ' ' CYS . . . -96.42 117.56 5.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.735 -0.745 . . . . 0.51 112.393 -177.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 902' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 4.1 t -87.29 137.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.431 -0.581 . . . . 1.64 109.431 177.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 15.8 p -120.29 132.74 55.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 1.35 111.238 -176.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -108.53 102.48 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.59 110.636 175.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 48.29 15.8 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.514 -0.766 . . . . 3.03 111.78 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -81.49 -20.84 39.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.566 -0.288 . . . . 2.81 111.181 -178.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.55 112.76 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.33 0.652 . . . . 4.33 112.336 177.468 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 55.54 48.9 17.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.157 -0.929 . . . . 2.52 110.84 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.9 -17.43 64.31 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.146 -0.934 . . . . 3.31 110.32 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 910' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 913' ' ' ARG . 5.2 mt-10 -62.91 -37.91 88.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.351 -0.386 . . . . 3.58 110.157 174.788 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -41.31 60.98 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.302 -0.408 . . . . 2.7 110.545 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 912' ' ' GLN . . . . . 0.98 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -63.52 -27.46 69.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.291 0.567 . . . . 3.07 109.581 175.719 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 913' ' ' ARG . . . . . 0.717 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -64.62 -48.99 72.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.374 -0.83 . . . . 4.72 111.275 178.38 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -27.52 66.05 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.455 -0.572 . . . . 2.18 109.455 175.458 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 915' ' ' LEU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -68.48 -51.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.136 -0.938 . . . . 2.39 111.552 179.121 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 916' ' ' GLU . . . . . 0.725 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.4 OUTLIER -79.59 -44.85 20.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.184 -1.006 . . . . 3.47 111.199 -176.183 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 13.3 m 49.17 49.44 19.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.73 1.011 . . . . 1.35 113.73 178.222 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.08 24.95 1.59 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.32 -0.943 . . . . 1.02 112.679 174.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 919' ' ' MET . . . . . 0.774 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -103.38 -114.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.126 0.489 . . . . 2.46 111.217 -171.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.502 ' H ' ' HB3' ' A' ' 919' ' ' MET . 7.8 t70 174.01 -51.66 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.462 -0.94 . . . . 1.26 108.462 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.2 m -162.59 152.97 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.471 -0.786 . . . . 1.26 110.432 177.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 922' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 3.3 m -108.97 151.41 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.439 -0.346 . . . . 2.14 110.767 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 923' ' ' LEU . . . . . 0.422 ' HB2' HG21 ' A' ' 902' ' ' VAL . 67.9 mt -125.62 167.58 14.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 1.28 111.101 -178.758 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.92 146.44 24.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 1.11 110.073 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 925' ' ' LYS . 1.5 tptt -47.87 -44.6 59.03 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.926 1.084 . . . . 1.69 113.926 -177.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.28 59.04 1.86 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.108 1.872 . . . . 1.33 112.956 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 927' ' ' VAL . . . . . 0.454 ' H ' HG21 ' A' ' 927' ' ' VAL . 0.9 OUTLIER -67.92 112.33 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 1.94 110.304 175.477 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.75 160.72 15.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.262 -0.426 . . . . 1.48 110.52 178.619 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.436 HD23 ' HG2' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -53.14 -45.47 68.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.921 0.391 . . . . 1.47 111.112 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.41 -40.05 70.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.945 -0.302 . . . . 1.85 111.222 -177.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -35.12 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.944 -0.302 . . . . 1.51 110.817 -177.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 933' ' ' LYS . 0.9 OUTLIER -71.25 -30.58 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 120.99 -0.284 . . . . 1.69 110.288 175.088 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 933' ' ' LYS . . . . . 0.476 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.8 OUTLIER -67.49 -41.73 84.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.332 . . . . 2.36 110.501 178.077 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.76 -49.07 79.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 2.76 110.361 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 935' ' ' THR . . . . . 0.651 HG22 HD13 ' A' ' 900' ' ' ILE . 1.3 m -66.87 -37.67 84.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.925 -0.58 . . . . 1.23 111.321 179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.9 -54.56 43.52 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.41 110.279 178.297 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 10.1 m -57.22 -42.86 82.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.729 -0.669 . . . . 1.41 110.822 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 938' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -55.93 -52.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.414 0.626 . . . . 1.99 111.008 179.377 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 939' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' A' ' 898' ' ' PRO . 4.4 m-85 -74.19 -32.02 62.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.126 -0.488 . . . . 1.99 111.094 -175.566 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 940' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.69 -41.89 98.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 1.22 110.267 177.18 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 938' ' ' LEU . 2.8 pt-20 -64.18 -36.15 83.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.51 178.082 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 56.1 mtt180 -66.95 -48.34 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.371 . . . . 3.6 110.855 -178.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 943' ' ' VAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 18.6 m -72.03 -31.17 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.456 -0.338 . . . . 1.3 111.068 -178.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 944' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -70.58 -46.28 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.229 -0.188 . . . . 4.16 110.842 179.333 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -24.34 62.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 3.22 111.251 -177.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 15.3 m -86.21 -21.78 27.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.671 0.272 . . . . 1.34 111.374 177.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 947' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 4.07 111.332 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 2.0 mttp . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.863 0.363 . . . . 7.3 110.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -170.51 -177.5 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 5.65 110.483 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 150.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.274 -0.639 . . . . 5.7 109.274 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 4.8 m -127.49 50.59 2.0 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.116 0.484 . . . . 4.93 110.546 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -74.48 144.64 44.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.782 -0.644 . . . . 4.74 110.512 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' ' 823' ' ' ASP . 2.9 t30 -144.56 0.13 0.98 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.119 -0.491 . . . . 5.4 110.801 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.502 ' O ' ' HB3' ' A' ' 824' ' ' ASP . 0.0 OUTLIER 79.1 -40.18 0.24 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.997 0.81 . . . . 5.08 111.344 -178.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 9.4 t70 77.95 -56.5 0.49 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.525 0.73 . . . . 3.99 111.787 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.444 ' HE1' ' HA ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -99.5 92.32 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.24 0.543 . . . . 2.4 111.425 -174.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.659 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 11.9 ttm -88.1 108.33 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.777 -0.647 . . . . 2.38 109.948 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.883 ' HB ' HD21 ' A' ' 844' ' ' LEU . 4.5 mm -107.12 143.65 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.157 0.503 . . . . 1.17 111.2 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.625 HD22 HG11 ' A' ' 872' ' ' VAL . 60.9 tp -101.6 116.87 33.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 1.99 110.575 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.695 HG21 HD22 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -107.8 108.5 25.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.735 0.779 . . . . 1.67 109.929 179.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.693 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.3 t -116.57 137.1 51.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.336 -0.847 . . . . 1.56 109.594 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 3.6 t70 -148.24 147.48 29.42 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.657 -0.417 . . . . 1.3 110.902 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -94.73 -3.55 49.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 2.03 110.473 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -117.4 125.49 28.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.814 -0.63 . . . . 2.8 110.261 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 -39.21 76.75 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.518 2.145 . . . . 1.39 112.87 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.72 -39.74 76.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.015 0.436 . . . . 2.71 110.055 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 2.2 t30 -71.02 -41.01 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 2.24 109.948 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 837' ' ' ARG . 3.9 ttm-85 -56.6 -47.63 79.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 3.21 110.878 177.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.522 ' C ' ' HD3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -54.89 -50.87 67.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.665 -0.698 . . . . 3.24 110.772 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.97 65.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.429 -0.805 . . . . 1.72 111.299 -172.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 829' ' ' VAL . 59.4 tp -67.15 -43.03 83.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 1.99 110.211 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.26 -35.19 73.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 1.25 110.807 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.14 -47.34 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 1.34 110.115 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.877 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.47 -43.49 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 2.07 110.477 179.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.883 HD21 ' HB ' ' A' ' 827' ' ' ILE . 10.7 tp -63.54 -37.73 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.749 -0.66 . . . . 1.81 111.133 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.07 -40.55 99.37 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.987 -0.625 . . . . 0.56 112.419 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 25.0 m -76.69 -19.52 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.82 0.343 . . . . 1.03 110.979 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -69.2 -34.77 75.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.461 0.648 . . . . 2.14 109.438 171.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 100.9 22.55 10.75 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.266 -0.879 . . . . 0.62 112.101 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -110.36 151.48 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.544 0.211 . . . . 1.67 110.528 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.659 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -61.33 124.79 21.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 2.92 110.342 176.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 106.3 16.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.267 -0.424 . . . . 1.39 110.932 -177.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.13 110.27 22.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.365 -0.606 . . . . 1.95 109.365 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.03 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.004 0.43 . . . . 1.24 111.742 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.42 ' HB1' HG11 ' A' ' 830' ' ' VAL . . . -141.83 168.58 19.42 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.971 -0.558 . . . . 1.15 110.72 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.2 t30 -144.3 72.45 1.34 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.704 -0.226 . . . . 2.4 110.883 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.673 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.8 t0 161.03 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.228 0.955 . . . . 1.45 109.828 171.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.43 78.46 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.219 -0.991 . . . . 0.66 110.882 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -68.78 -30.64 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 1.55 110.753 178.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.52 -32.27 73.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.84 110.868 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.438 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -57.92 -53.68 55.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 1.2 111.19 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.597 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -73.79 -27.68 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 2.43 110.944 -178.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.06 -48.35 79.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.435 0.636 . . . . 2.14 109.47 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.03 -35.15 72.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.203 -0.908 . . . . 1.53 110.249 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.88 -31.73 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 2.23 111.182 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 14.6 m -78.2 -27.06 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.25 -0.432 . . . . 0.97 110.72 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 4.7 mmmt -84.21 -37.01 22.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 3.88 111.176 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 157.1 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.299 -0.41 . . . . 1.86 110.194 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 137.73 34.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.988 0.423 . . . . 3.83 111.266 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.564 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -134.21 153.99 36.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.33 -0.396 . . . . 1.62 110.417 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.683 ' HA ' HH21 ' A' ' 947' ' ' ARG . 8.2 t0 -95.18 -57.19 2.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 1.64 110.957 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.756 HD12 ' HB3' ' A' ' 939' ' ' TYR . 17.8 mm -113.45 130.37 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.084 -0.507 . . . . 1.68 110.65 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.625 HG11 HD22 ' A' ' 828' ' ' LEU . 38.9 t -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.12 -0.232 . . . . 1.3 110.724 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 4.1 mt -123.32 99.87 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.963 -0.384 . . . . 1.46 109.963 173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.693 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 11.3 p -111.29 110.44 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.014 -0.275 . . . . 1.37 110.383 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.492 ' OD2' ' HA ' ' A' ' 925' ' ' LYS . 18.4 t0 -95.91 117.78 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.181 0.515 . . . . 1.34 111.058 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.48 121.36 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 1.82 110.28 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.48 ' O ' ' HD3' ' A' ' 879' ' ' PRO . 0.0 OUTLIER -110.15 -5.92 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 2.99 110.394 -179.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.631 ' HG3' ' HB3' ' A' ' 880' ' ' ASN . 57.2 tpp -100.25 100.63 12.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.656 -0.702 . . . . 4.08 111.377 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.758 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 84.9 Cg_endo -83.78 50.37 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.949 2.432 . . . . 4.07 111.595 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . 0.631 ' HB3' ' HG3' ' A' ' 878' ' ' MET . 0.1 OUTLIER -115.6 -13.96 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.572 -0.74 . . . . 5.43 111.027 -174.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 18.5 tpp -155.14 -58.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.366 . . . . 5.88 111.632 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.433 ' OD1' HD11 ' A' ' 886' ' ' LEU . 1.6 t0 -116.39 -149.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.439 0.533 . . . . 4.99 112.439 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.76 52.98 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.003 -1.639 . . . . 3.04 109.003 -167.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.878 ' HB2' ' HG3' ' A' ' 912' ' ' GLN . 9.2 t80 -173.63 -79.12 0.01 OUTLIER 'General case' 0 C--O 1.249 1.028 0 CA-C-O 122.251 1.024 . . . . 3.02 109.223 -164.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.532 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.8 tmm_? -63.44 -29.32 70.62 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.946 -1.025 . . . . 3.74 111.428 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -22.3 66.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.304 1.05 . . . . 2.82 109.547 -173.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.89 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -85.23 -28.32 25.47 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.724 -1.58 . . . . 1.55 107.707 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.557 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -62.96 -47.97 80.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 2.4 110.002 169.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.92 76.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.291 -0.413 . . . . 2.86 111.38 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.61 HG23 HG22 ' A' ' 899' ' ' VAL . 2.0 mt -67.37 -42.88 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.499 -0.319 . . . . 2.15 110.582 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.436 HH11 ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -70.86 -23.51 62.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.124 0.487 . . . . 2.75 110.526 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -72.97 -38.25 66.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.047 -0.524 . . . . 3.05 110.155 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -31.92 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 2.43 110.174 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 103.99 84.68 1.8 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.925 -0.655 . . . . 1.12 111.623 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 895' ' ' LEU . 0.6 OUTLIER -75.2 121.99 22.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.401 0.619 . . . . 3.34 111.108 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.56 24.16 11.51 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.5 -0.773 . . . . 2.85 109.136 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.32 155.4 31.72 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 114.592 -1.185 . . . . 1.91 109.258 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 126.05 11.28 Favored 'Trans proline' 0 C--O 1.242 0.724 0 C-N-CA 122.441 2.094 . . . . 1.09 113.424 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.717 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -101.54 105.64 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 121.371 0.605 . . . . 1.31 110.099 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.817 HG22 HD13 ' A' ' 923' ' ' LEU . 5.5 mt -92.84 108.28 20.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.328 0.585 . . . . 1.28 109.952 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.35 99.68 2.58 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.477 -0.783 . . . . 0.51 112.055 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -76.77 127.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 108.383 -0.969 . . . . 1.64 108.383 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.811 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 2.4 p -140.39 155.36 46.78 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.632 -0.427 . . . . 1.35 111.801 -169.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.4 104.53 4.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 1.59 111.229 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 55.47 55.8 6.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.708 -0.678 . . . . 3.03 112.326 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.87 ' HB1' ' HG3' ' A' ' 909' ' ' GLU . . . -98.55 42.32 1.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.967 0.413 . . . . 2.81 110.152 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.89 -71.04 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.171 -0.922 . . . . 4.33 110.815 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -143.66 78.22 1.58 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.211 -0.663 . . . . 2.52 109.211 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.87 ' HG3' ' HB1' ' A' ' 906' ' ' ALA . 13.5 mp0 -58.15 -45.84 86.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.669 -0.696 . . . . 3.31 111.619 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.24 -39.61 75.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 3.58 110.562 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -65.4 -35.02 79.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.818 -0.628 . . . . 2.7 110.706 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.878 ' HG3' ' HB2' ' A' ' 884' ' ' TYR . 0.7 OUTLIER -68.57 -39.11 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.276 0.56 . . . . 3.07 109.75 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.482 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 5.2 ttt180 -62.26 -39.74 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.409 -0.814 . . . . 4.72 110.46 177.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.33 -38.64 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 2.18 111.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.19 -52.24 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.098 0.475 . . . . 2.39 111.326 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.89 ' HB2' HG22 ' A' ' 887' ' ' THR . 4.3 mm-40 -78.2 -22.17 48.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.663 -0.699 . . . . 3.47 110.872 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' SER . . . . . 0.436 ' HB2' HH11 ' A' ' 891' ' ' ARG . 1.5 m 52.43 51.87 15.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.961 1.097 . . . . 1.35 113.961 171.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.645 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -148.02 27.07 1.43 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.409 -0.901 . . . . 1.02 113.487 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.717 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.3 ttm -106.98 -119.95 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.336 0.568 . . . . 2.46 111.21 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.531 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.3 t70 171.03 -52.14 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 123.861 0.865 . . . . 1.26 108.857 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.17 170.14 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.515 -0.766 . . . . 1.26 110.369 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.482 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 70.1 m -131.58 135.53 47.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.642 -0.254 . . . . 2.14 110.501 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.817 HD13 HG22 ' A' ' 900' ' ' ILE . 62.2 mt -124.94 -175.27 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.574 -0.284 . . . . 1.28 110.587 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.466 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.95 153.53 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 1.11 110.042 178.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.492 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 1.2 tptp -49.89 -48.17 78.56 Favored Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 113.788 1.033 . . . . 1.69 113.788 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 11.9 Cg_exo -72.78 65.91 3.95 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.067 1.845 . . . . 1.33 113.599 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.504 ' H ' HG22 ' A' ' 927' ' ' VAL . 0.1 OUTLIER -77.4 99.43 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 1.94 110.303 173.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.8 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.311 -0.404 . . . . 1.48 111.384 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.877 HD22 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -58.44 -46.31 86.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.737 0.303 . . . . 1.47 111.133 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.23 -46.42 73.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.35 -0.386 . . . . 1.85 110.719 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.14 -44.86 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.973 -0.558 . . . . 1.51 110.338 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.729 HG22 HD21 ' A' ' 936' ' ' LEU . 0.5 OUTLIER -61.68 -38.95 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 1.69 110.551 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.45 76.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.204 -0.453 . . . . 2.36 112.015 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -38.22 78.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 2.76 110.854 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.1 m -65.8 -44.53 85.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.238 . . . . 1.23 111.01 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.62 -41.28 92.88 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.436 -0.347 . . . . 1.41 110.792 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 80.7 m -65.94 -47.29 75.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.317 -0.402 . . . . 1.41 111.015 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.157 0.503 . . . . 1.99 110.884 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.756 ' HB3' HD12 ' A' ' 871' ' ' ILE . 4.0 m-85 -76.68 -25.55 53.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.143 -0.481 . . . . 1.99 111.724 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 936' ' ' LEU . . . -64.31 -39.04 93.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.278 0.561 . . . . 1.22 110.322 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.07 -34.87 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.643 . . . . 1.87 109.926 176.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.497 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -67.15 -48.45 68.0 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.152 -0.476 . . . . 3.6 110.638 -178.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.98 -29.33 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 120.855 0.36 . . . . 1.3 110.423 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.37 -34.59 76.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.487 -0.324 . . . . 4.16 110.193 174.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -34.94 33.19 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.92 0.39 . . . . 3.22 110.953 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 3.8 m -75.6 -25.9 57.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.38 0.511 . . . . 1.34 112.38 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.683 HH21 ' HA ' ' A' ' 870' ' ' ASP . 74.1 mtt-85 -95.57 -33.97 12.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 4.07 111.305 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -91.23 114.6 27.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.509 -0.314 . . . . 2.64 110.383 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.538 -0.756 . . . . 5.37 111.022 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.501 ' HB3' ' H ' ' A' ' 818' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.022 -0.362 . . . . 7.3 110.022 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . 0.501 ' H ' ' HB3' ' A' ' 817' ' ' LYS . . . -90.76 131.32 36.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.38 . . . . 5.65 110.835 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.38 118.23 56.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.12 -0.491 . . . . 5.7 110.273 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.68 26.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 4.93 111.221 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -73.65 130.78 40.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.127 -0.488 . . . . 4.74 109.993 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -71.89 -74.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 5.4 111.743 -174.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.487 ' OD1' ' HG3' ' A' ' 850' ' ' GLN . 1.5 t70 -159.78 -26.3 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.811 -0.177 . . . . 5.08 111.223 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 24.6 t70 76.02 -65.86 0.29 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.08 0.952 . . . . 3.99 110.62 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.3 118.95 6.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.363 -0.835 . . . . 2.4 109.911 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.479 ' O ' HG21 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -98.62 113.31 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.035 0.445 . . . . 2.38 110.147 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.764 ' HB ' HD23 ' A' ' 844' ' ' LEU . 1.3 mm -110.7 137.82 41.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.469 -0.787 . . . . 1.17 109.751 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.429 HD13 HG12 ' A' ' 863' ' ' VAL . 0.5 OUTLIER -94.79 118.45 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.388 -0.369 . . . . 1.99 110.773 -177.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 853' ' ' THR . 2.0 m -101.72 94.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.169 -0.678 . . . . 1.67 109.169 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 856' ' ' ASP . 0.0 OUTLIER -110.24 84.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 1.56 110.511 -174.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.695 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -106.27 154.97 19.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.508 -0.314 . . . . 1.3 111.105 -171.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . 0.445 ' HA ' ' ND2' ' A' ' 855' ' ' ASN . 2.1 p-10 -93.28 -18.24 22.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.853 0.686 . . . . 2.03 112.853 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.604 ' CD2' ' HB3' ' A' ' 877' ' ' ASN . 32.4 m-70 -127.18 107.96 21.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.275 -0.266 . . . . 2.8 110.532 -177.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.8 Cg_endo -40.31 -39.07 2.52 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 124.879 3.719 . . . . 1.39 115.375 -167.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -33.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 120.939 0.4 . . . . 2.71 111.432 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -83.55 -22.56 32.35 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.874 -0.33 . . . . 2.24 110.56 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.413 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 4.1 ttm180 -61.42 -50.53 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 3.21 110.017 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -32.02 71.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 3.24 111.352 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -39.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.72 111.232 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 54.1 tp -66.59 -41.13 88.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 1.99 109.813 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.76 62.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.608 . . . . 1.25 110.921 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -68.47 -48.76 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 1.34 110.271 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.537 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.5 OUTLIER -64.32 -35.15 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 2.07 110.096 177.325 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.764 HD23 ' HB ' ' A' ' 827' ' ' ILE . 5.2 tp -63.25 -43.42 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 1.81 110.487 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.61 -27.82 73.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.56 111.855 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.1 m -68.44 -28.38 67.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 1.03 110.075 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.821 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -81.75 -15.56 53.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.713 -0.676 . . . . 2.14 110.469 175.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.89 70.14 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.851 -0.613 . . . . 0.62 111.819 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.45 ' HD2' HD11 ' A' ' 827' ' ' ILE . 3.7 m-85 -99.58 143.43 29.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 1.67 110.664 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.487 ' HG3' ' OD1' ' A' ' 823' ' ' ASP . 4.2 mm-40 -72.07 132.82 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 2.92 111.284 -174.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.568 ' HB3' HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -115.76 107.96 15.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 1.39 111.192 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -93.39 119.21 32.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.105 -0.702 . . . . 1.95 109.105 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.607 ' HA ' HG22 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -91.12 136.22 33.23 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.771 0.656 . . . . 1.24 112.771 -168.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.462 ' HB1' HG11 ' A' ' 830' ' ' VAL . . . -158.3 175.48 13.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.832 -0.622 . . . . 1.15 109.806 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.1 t-20 -147.23 74.65 1.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.665 -0.414 . . . . 2.4 111.691 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.669 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.1 t70 160.58 164.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.344 1.058 . . . . 1.45 109.798 166.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.671 ' HA3' ' HB3' ' A' ' 886' ' ' LEU . . . -74.02 -42.72 36.1 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.411 -0.899 . . . . 0.66 110.916 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.64 -29.13 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.082 0.468 . . . . 1.55 110.341 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 32.1 t0 -62.68 -40.74 98.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.913 -0.585 . . . . 0.84 109.678 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -33.94 77.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 1.2 110.354 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.557 HD11 HG12 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -62.76 -43.28 99.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 2.43 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -69.26 -49.8 52.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 2.14 111.066 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.429 HG12 HD13 ' A' ' 828' ' ' LEU . 8.2 p -64.22 -32.47 57.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.525 -0.307 . . . . 1.53 110.759 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 2.4 mt -66.0 -32.35 73.79 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.296 0.57 . . . . 2.23 110.426 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 48.7 m -76.3 -21.81 55.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.826 -0.625 . . . . 0.97 110.602 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -36.61 20.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 3.88 110.682 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 137.44 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.727 -0.842 . . . . 1.86 108.727 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.41 84.2 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.023 0.44 . . . . 3.83 111.883 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 826' ' ' MET . 2.7 mp -61.01 139.54 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.753 . . . . 1.62 109.409 170.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 0.2 OUTLIER -87.63 -30.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -170.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.448 HD13 HG22 ' A' ' 943' ' ' VAL . 9.0 mt -134.19 129.98 54.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.107 -0.331 . . . . 1.68 110.107 177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 897' ' ' LEU . 37.0 t -112.88 131.75 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.923 -0.311 . . . . 1.3 111.541 -176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -117.92 99.64 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 1.46 110.112 174.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 p -90.04 103.08 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.931 0.396 . . . . 1.37 110.264 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.695 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 60.9 t0 -93.72 118.08 30.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.753 -0.658 . . . . 1.34 110.435 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.51 117.7 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 1.82 111.338 -175.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.745 ' HB2' ' HD3' ' A' ' 925' ' ' LYS . 4.5 t-20 -115.25 48.22 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 2.99 109.871 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 43.9 ttm -135.72 84.23 33.53 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.653 -0.703 . . . . 4.08 110.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -63.05 -10.72 21.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.975 2.45 . . . . 4.07 112.113 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -72.39 -23.3 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 5.43 110.498 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.36 88.51 2.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.681 -0.69 . . . . 5.88 109.208 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.463 ' HB3' ' HD1' ' A' ' 884' ' ' TYR . 4.6 t0 -45.57 130.29 8.82 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.977 -1.011 . . . . 4.99 112.614 -172.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.548 ' O ' ' HG ' ' A' ' 886' ' ' LEU . . . -79.08 -5.35 89.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.325 -0.852 . . . . 3.04 112.819 -175.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.737 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.7 p90 -59.59 -41.63 90.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.867 0.841 . . . . 3.02 110.602 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.652 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.63 -27.13 62.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.459 -0.792 . . . . 3.74 111.475 -168.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.671 ' HB3' ' HA3' ' A' ' 857' ' ' GLY . 0.1 OUTLIER -73.25 -27.57 61.66 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.16 -1.052 . . . . 2.82 108.16 -170.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 11.4 m -78.0 -28.26 49.21 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 113.68 -1.6 . . . . 1.55 109.906 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.43 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 37.6 tt0 -61.68 -41.4 97.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.679 -0.691 . . . . 2.4 109.753 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -37.52 80.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 2.86 110.648 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.557 HG12 HD11 ' A' ' 861' ' ' LEU . 0.4 OUTLIER -64.3 -35.24 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.795 0.331 . . . . 2.15 110.747 178.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -69.16 -39.09 79.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 2.75 110.057 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.14 -37.6 87.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.38 0.609 . . . . 3.05 109.99 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.22 -23.84 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.384 -0.825 . . . . 2.43 111.254 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.47 73.96 1.26 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.905 -0.664 . . . . 1.12 111.885 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 918' ' ' GLY . 0.6 OUTLIER -69.14 133.83 48.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 3.34 111.209 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.8 27.42 8.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.953 -0.567 . . . . 2.85 110.092 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.509 HD12 HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -153.86 153.25 28.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 1.91 109.648 -177.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 16.5 Cg_exo -67.94 133.88 30.44 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 122.799 2.332 . . . . 1.09 112.836 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.846 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 42.7 t -110.07 125.15 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 1.31 110.491 177.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.694 ' HB ' HD23 ' A' ' 873' ' ' LEU . 3.8 mt -112.38 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.013 -0.54 . . . . 1.28 110.015 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.35 124.24 7.39 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.648 -0.787 . . . . 0.51 112.105 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.0 t -97.03 96.41 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.195 -0.669 . . . . 1.64 109.195 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.584 ' O ' ' HA ' ' A' ' 924' ' ' SER . 2.5 p -116.97 171.78 7.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.087 0.47 . . . . 1.35 111.611 -172.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -144.33 102.53 3.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 1.59 110.434 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 48.01 65.17 1.37 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.029 0.831 . . . . 3.03 112.115 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -83.66 49.24 1.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.123 -0.489 . . . . 2.81 110.577 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.1 -74.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.447 -0.797 . . . . 4.33 111.012 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.42 75.7 1.47 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.407 -0.59 . . . . 2.52 109.407 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.42 -25.86 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 3.31 111.59 -174.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.68 -44.65 96.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.239 0.542 . . . . 3.58 110.153 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.498 ' HD3' HD13 ' A' ' 915' ' ' LEU . 0.0 OUTLIER -70.03 -40.11 75.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.633 -0.712 . . . . 2.7 110.525 -178.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.737 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.6 OUTLIER -74.0 -28.72 61.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.791 -0.364 . . . . 3.07 110.744 -177.152 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.743 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.84 -36.43 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.28 0.562 . . . . 4.72 110.078 174.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 13.5 m -73.69 -26.43 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.938 -0.573 . . . . 2.18 110.327 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.677 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -71.64 -51.74 21.56 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.796 -0.638 . . . . 2.39 112.02 -177.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.743 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -77.57 -42.51 34.98 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.216 -0.594 . . . . 3.47 110.648 179.138 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.67 49.99 19.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.79 0.663 . . . . 1.35 112.79 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 895' ' ' LEU . . . -147.26 10.98 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.002 -1.094 . . . . 1.02 112.529 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.846 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.4 ttm -87.65 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.259 . . . . 2.46 111.092 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.573 ' HB2' ' O ' ' A' ' 919' ' ' MET . 25.8 t0 165.74 -52.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.154 0.982 . . . . 1.26 109.109 173.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.662 ' HG ' ' HH ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -136.24 157.62 46.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 1.26 110.853 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.32 142.0 48.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.352 -0.385 . . . . 2.14 110.445 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.3 -175.36 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 1.28 109.938 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.7 m -105.79 149.63 26.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.432 -0.349 . . . . 1.11 110.112 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.745 ' HD3' ' HB2' ' A' ' 877' ' ' ASN . 2.1 tptt -44.04 -53.02 14.21 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 113.318 0.859 . . . . 1.69 113.318 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.507 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 72.1 Cg_endo -77.53 65.35 8.07 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.563 1.509 . . . . 1.33 112.499 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -65.73 117.32 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 1.94 110.439 177.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 170.28 14.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 1.48 110.774 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.537 HD22 ' HG3' ' A' ' 843' ' ' GLN . 0.8 OUTLIER -58.61 -46.29 87.35 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.791 0.293 . . . . 1.47 111.791 -175.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.45 -44.23 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.815 0.341 . . . . 1.85 110.665 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.16 -47.26 90.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 1.51 110.75 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.1 tt -64.37 -32.8 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.69 110.996 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.519 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.77 -35.31 78.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.739 0.304 . . . . 2.36 110.608 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.1 OUTLIER -63.68 -54.78 30.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 2.76 110.439 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -41.31 95.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.23 111.056 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.821 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.09 -57.51 12.53 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.957 -0.565 . . . . 1.41 111.062 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 21.5 m -62.75 -41.94 99.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.24 -0.436 . . . . 1.41 111.398 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -63.23 -42.07 99.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 1.99 111.436 -178.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.662 ' HH ' ' HG ' ' A' ' 921' ' ' SER . 3.1 m-30 -84.85 -25.9 27.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.933 -0.307 . . . . 1.99 111.54 -175.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -65.23 -40.33 93.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 1.22 109.903 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.11 71.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.924 -0.58 . . . . 1.87 109.694 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -48.51 80.54 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 3.6 111.047 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 871' ' ' ILE . 17.6 m -75.49 -34.7 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.632 -0.258 . . . . 1.3 110.972 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -65.15 -45.12 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 4.16 111.304 -178.181 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -29.76 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 3.22 111.853 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 35.9 m -75.4 -38.71 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.547 -0.461 . . . . 1.34 110.417 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 5.3 ttt85 -73.41 -19.62 60.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 4.07 109.865 174.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 3.8 t0 61.06 63.82 1.2 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.043 -0.981 . . . . 2.64 110.858 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.846 -1.073 . . . . 5.37 109.664 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.925 -0.398 . . . . 7.3 109.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -108.73 143.58 37.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 5.65 110.992 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.0 122.28 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.951 -0.568 . . . . 5.7 110.039 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.49 131.66 56.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.406 -0.361 . . . . 4.93 110.832 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -107.36 -132.35 0.32 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.135 -0.484 . . . . 4.74 109.827 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -53.4 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.734 -0.839 . . . . 5.4 108.734 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 25.2 t70 177.73 -79.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.19 -1.368 . . . . 5.08 108.319 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 9.4 t0 173.49 -62.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.959 -1.019 . . . . 3.99 109.06 175.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 1.3 mtp -149.0 141.95 24.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.532 -0.758 . . . . 2.4 110.285 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.644 ' HB2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.31 113.09 25.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 2.38 110.593 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 38.5 mm -104.89 132.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.665 -0.698 . . . . 1.17 110.223 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.718 HD12 HG12 ' A' ' 863' ' ' VAL . 12.9 tp -96.61 104.52 16.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.931 0.396 . . . . 1.99 110.374 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.65 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 15.5 m -93.4 100.23 10.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.63 0.729 . . . . 1.67 110.399 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.38 125.93 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.629 . . . . 1.56 110.153 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.576 ' HB3' ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -148.03 142.84 26.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 117.967 0.349 . . . . 1.3 111.216 175.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -78.04 -14.06 59.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.815 0.672 . . . . 2.03 112.815 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -119.35 83.49 26.18 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.992 -0.373 . . . . 2.8 109.992 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -35.03 -39.76 0.22 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 125.167 3.911 . . . . 1.39 116.396 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.7 OUTLIER -57.81 -31.41 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 121.086 0.47 . . . . 2.71 111.397 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -73.77 -41.62 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.959 -0.564 . . . . 2.24 110.267 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 1.032 ' HA ' ' HE ' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -64.45 -33.68 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.922 -0.311 . . . . 3.21 111.138 176.202 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.604 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.29 -50.7 72.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.519 0.676 . . . . 3.24 109.851 173.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.604 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.61 -40.23 76.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.155 -0.929 . . . . 1.72 110.964 -173.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -30.32 69.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.974 -0.557 . . . . 1.99 110.731 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -72.14 -24.76 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 1.25 110.287 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -47.13 71.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.369 -0.604 . . . . 1.34 109.369 173.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.03 95.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.517 -0.765 . . . . 2.07 110.459 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -37.03 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.81 110.472 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.44 -31.11 79.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.452 -0.794 . . . . 0.56 112.308 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -16.54 56.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 1.03 110.481 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.485 HD11 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -79.51 -41.39 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.14 110.121 176.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.96 35.6 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.62 112.315 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -123.77 152.98 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 1.67 110.254 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.44 126.55 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 2.92 109.958 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 111.76 22.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.83 0.348 . . . . 1.39 111.085 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.552 ' O ' HG21 ' A' ' 829' ' ' VAL . 0.7 OUTLIER -98.54 120.21 38.59 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.342 -0.614 . . . . 1.95 109.342 176.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.61 140.04 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 1.24 112.066 -170.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -157.16 171.06 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.675 -0.693 . . . . 1.15 109.407 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.8 73.09 0.87 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.089 -0.645 . . . . 2.4 112.315 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.67 ' OD2' HG21 ' A' ' 858' ' ' VAL . 14.0 t70 162.91 156.76 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.227 0.954 . . . . 1.45 109.657 172.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -62.74 -52.55 47.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.966 -0.635 . . . . 0.66 112.118 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.67 HG21 ' OD2' ' A' ' 856' ' ' ASP . 1.5 m -74.06 -29.67 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 122.759 -0.26 . . . . 1.55 111.018 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.612 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 25.8 t0 -57.53 -33.29 67.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.429 -0.351 . . . . 0.84 110.509 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -62.05 -38.4 88.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 1.2 110.676 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -72.88 -33.38 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 2.43 110.194 177.763 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.69 -50.59 68.62 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.505 -0.771 . . . . 2.14 110.534 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.718 HG12 HD12 ' A' ' 828' ' ' LEU . 4.3 p -68.65 -32.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 1.53 110.219 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.604 ' HG ' HD21 ' A' ' 895' ' ' LEU . 0.3 OUTLIER -58.95 -38.93 80.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.098 0.475 . . . . 2.23 110.659 175.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 17.9 m -65.58 -37.6 87.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.97 110.604 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -73.82 -41.52 62.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 3.88 111.417 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.99 118.73 8.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 1.86 110.235 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 144.92 53.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.136 0.494 . . . . 3.83 110.66 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.704 HG23 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -132.63 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.311 -0.626 . . . . 1.62 109.311 -179.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.39 -60.69 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.462 . . . . 1.64 111.103 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.434 HG23 HD11 ' A' ' 900' ' ' ILE . 13.7 mt -121.0 132.12 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 1.68 110.674 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.2 138.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 1.3 110.025 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 106.89 9.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.985 -0.376 . . . . 1.46 109.985 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.0 p -91.68 99.61 12.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 1.37 110.597 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.514 ' HB2' ' NH1' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.272 -0.876 . . . . 1.34 109.946 179.244 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.36 115.23 39.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 1.82 112.023 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.719 ' HB2' ' HE3' ' A' ' 925' ' ' LYS . 0.6 OUTLIER -107.17 12.75 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 2.99 109.395 172.062 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 19.3 ttp -77.34 110.87 13.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.477 -0.783 . . . . 4.08 110.159 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -82.18 -0.59 10.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.762 2.308 . . . . 4.07 112.21 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -93.04 120.69 33.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 5.43 110.95 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 3.8 tpt 72.2 3.97 4.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.463 -0.789 . . . . 5.88 112.687 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.5 t70 66.07 -179.26 0.2 Allowed 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.11 0.481 . . . . 4.99 111.587 173.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.549 ' O ' ' HG ' ' A' ' 886' ' ' LEU . . . -78.42 -36.06 31.39 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 109.29 -1.524 . . . . 3.04 109.29 169.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.78 ' HB2' ' HB3' ' A' ' 882' ' ' ASP . 0.1 OUTLIER 19.8 -111.71 0.01 OUTLIER 'General case' 0 C--O 1.246 0.912 0 C-N-CA 125.238 1.415 . . . . 3.02 114.482 166.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.651 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.1 -25.46 68.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.204 -1.362 . . . . 3.74 112.505 -167.039 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 883' ' ' GLY . 0.3 OUTLIER -65.74 -29.85 70.42 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.303 -0.999 . . . . 2.82 108.303 -176.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -69.93 -41.15 75.0 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.596 -1.183 . . . . 1.55 108.517 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.6 tp-100 -57.07 -45.09 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.866 -1.061 . . . . 2.4 110.725 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -37.34 73.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 2.86 110.888 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.634 HG13 HD21 ' A' ' 861' ' ' LEU . 6.2 mt -57.57 -47.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 2.15 110.538 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.04 68.99 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.258 -0.428 . . . . 2.75 111.277 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 59.5 mt-30 -74.88 -37.36 62.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.088 0.47 . . . . 3.05 110.82 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 861' ' ' LEU . 6.6 tp -76.41 -4.37 42.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 2.43 110.711 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 1.12 113.406 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.604 HD21 ' HG ' ' A' ' 864' ' ' LEU . 4.0 mp -90.44 110.44 21.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.991 0.424 . . . . 3.34 109.944 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 7.5 t -99.86 -3.8 31.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.499 0.666 . . . . 2.85 109.66 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.521 HD12 HD23 ' A' ' 895' ' ' LEU . 0.2 OUTLIER -75.75 151.46 84.65 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.233 -0.894 . . . . 1.91 109.661 178.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.1 119.6 6.95 Favored 'Trans proline' 0 C--O 1.241 0.65 0 C-N-CA 123.037 2.491 . . . . 1.09 113.328 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.841 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.7 t -106.04 109.12 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.356 0.598 . . . . 1.31 110.281 175.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.487 ' CG2' HD13 ' A' ' 923' ' ' LEU . 40.8 mt -84.57 113.74 23.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.817 -0.629 . . . . 1.28 110.262 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.418 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -89.05 91.74 1.75 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.69 -0.767 . . . . 0.51 112.217 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -83.61 98.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.102 -0.703 . . . . 1.64 109.102 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 52.0 p -121.5 -174.75 2.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.579 0.704 . . . . 1.35 112.392 -168.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -138.66 160.09 40.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.822 -1.081 . . . . 1.59 108.234 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.32 100.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 3.03 111.83 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -134.81 86.23 2.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 2.81 109.156 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.55 -86.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 4.33 110.086 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.77 71.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 2.52 110.254 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 3.31 111.367 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.21 -40.64 90.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.992 0.425 . . . . 3.58 110.355 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.02 -38.94 86.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 2.7 110.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 884' ' ' TYR . 1.8 mp0 -69.86 -32.02 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.229 0.537 . . . . 3.07 109.926 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.7 ' HG3' ' HB2' ' A' ' 919' ' ' MET . 14.1 ttp85 -64.12 -31.31 72.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.429 -0.805 . . . . 4.72 110.131 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.56 -43.99 36.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 2.18 110.945 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -52.66 20.92 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 111.873 0.323 . . . . 2.39 111.873 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.669 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 13.1 mm-40 -78.38 -23.11 46.97 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.647 0.379 . . . . 3.47 111.561 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.52 54.41 10.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.443 1.275 . . . . 1.35 114.443 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.686 ' H ' HG23 ' A' ' 887' ' ' THR . . . -132.58 26.75 3.62 Favored Glycine 0 C--O 1.222 -0.611 0 C-N-CA 119.957 -1.116 . . . . 1.02 113.741 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.841 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.8 mtt -117.63 -126.11 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 118.131 0.965 . . . . 2.46 112.057 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 919' ' ' MET . 23.9 t0 170.58 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.249 1.02 . . . . 1.26 108.738 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.739 ' HG ' ' HH ' ' A' ' 939' ' ' TYR . 0.1 OUTLIER -132.04 173.81 10.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.725 . . . . 1.26 110.822 178.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.446 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 97.1 m -145.85 120.68 9.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.732 -0.47 . . . . 2.14 109.732 176.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.528 HD12 HG23 ' A' ' 935' ' ' THR . 20.4 mt -125.93 -174.86 3.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.588 -0.278 . . . . 1.28 110.275 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -97.57 143.37 28.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.178 -0.464 . . . . 1.11 110.056 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.719 ' HE3' ' HB2' ' A' ' 877' ' ' ASN . 0.2 OUTLIER -48.39 -44.53 64.75 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.829 0.677 . . . . 1.69 112.829 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 57.1 Cg_endo -71.14 64.12 2.64 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.694 1.596 . . . . 1.33 112.663 175.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -74.13 84.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.94 110.608 175.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.17 169.01 16.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.846 -0.616 . . . . 1.48 110.643 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 929' ' ' LEU . 0.5 OUTLIER -54.24 -38.49 65.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.698 0.285 . . . . 1.47 111.249 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.87 -61.42 2.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 1.85 111.548 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.48 -29.52 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.184 -0.462 . . . . 1.51 111.489 -176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.508 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -69.09 -35.52 69.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.57 -0.286 . . . . 1.69 110.567 179.165 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -40.29 78.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.597 0.237 . . . . 2.36 110.477 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -58.35 -57.27 13.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.024 -0.535 . . . . 2.76 110.582 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 935' ' ' THR . . . . . 0.528 HG23 HD12 ' A' ' 923' ' ' LEU . 1.1 m -63.28 -41.57 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.757 -0.656 . . . . 1.23 112.113 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.6 OUTLIER -66.12 -46.52 77.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.886 -0.143 . . . . 1.41 111.153 -177.45 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 26.8 m -66.66 -42.58 86.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.686 0.279 . . . . 1.41 111.034 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -40.64 97.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.129 0.49 . . . . 1.99 110.817 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.739 ' HH ' ' HG ' ' A' ' 921' ' ' SER . 1.9 m-85 -75.24 -38.06 60.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.348 -0.387 . . . . 1.99 111.302 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.02 73.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.912 0.386 . . . . 1.22 110.262 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -67.9 -44.81 76.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.025 -0.534 . . . . 1.87 110.683 178.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.475 ' HD3' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -72.98 -35.55 66.9 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.639 -0.424 . . . . 3.6 111.46 -176.087 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 34.6 m -72.28 -30.28 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 1.3 110.31 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -75.16 -26.8 59.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 4.16 110.123 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -71.54 -46.81 58.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 3.22 109.912 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 28.0 m -63.37 -36.39 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.34 110.434 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -61.08 -59.07 5.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 4.07 110.468 177.106 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 17.4 t0 58.95 82.44 0.14 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.508 -0.769 . . . . 2.64 111.215 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.785 -0.643 . . . . 5.37 109.709 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 111.745 0.276 . . . . 7.3 111.745 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -126.14 -84.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.127 -0.358 . . . . 5.65 111.433 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.23 150.27 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.488 -0.324 . . . . 5.7 110.572 -176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.21 153.91 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.434 -0.348 . . . . 4.93 110.306 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.47 120.36 40.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.084 -0.339 . . . . 4.74 110.084 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.55 -39.53 31.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.248 -0.433 . . . . 5.4 109.982 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.85 88.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.474 -0.784 . . . . 5.08 111.689 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.33 70.12 8.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.495 -0.775 . . . . 3.99 109.54 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.58 91.55 2.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.292 -0.867 . . . . 2.4 109.249 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.908 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -91.45 110.44 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.221 -0.9 . . . . 2.38 111.049 -174.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.699 ' HB ' HD23 ' A' ' 844' ' ' LEU . 4.4 mm -98.76 128.03 50.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.857 -0.61 . . . . 1.17 109.615 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.563 ' HB2' HG12 ' A' ' 869' ' ' ILE . 19.8 tp -94.44 103.8 15.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 1.99 110.116 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.775 HG11 HD21 ' A' ' 844' ' ' LEU . 2.2 m -92.71 101.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.744 0.783 . . . . 1.67 110.349 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 875' ' ' ASP . 2.7 t -101.36 139.08 23.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.222 -0.899 . . . . 1.56 110.13 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.648 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 8.6 t70 -153.44 134.01 13.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.665 -0.494 . . . . 1.3 109.665 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.18 -35.18 71.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.865 -0.607 . . . . 2.03 111.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 0.5 OUTLIER -120.32 130.58 24.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.472 . . . . 2.8 111.799 -174.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 72.0 Cg_exo -50.53 -35.56 46.47 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.144 3.229 . . . . 1.39 114.981 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 836' ' ' ASN . 2.9 tp -62.02 -47.83 91.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 121.134 0.492 . . . . 2.71 111.41 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.648 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.7 OUTLIER -78.78 -29.09 44.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.504 -0.554 . . . . 2.24 109.504 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -54.01 -51.11 65.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.863 -0.608 . . . . 3.21 111.0 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.07 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 3.24 110.767 -178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 838' ' ' ARG . 0.3 OUTLIER -66.92 -53.13 35.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.72 111.009 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' A' ' 829' ' ' VAL . 0.1 OUTLIER -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 1.99 110.719 -178.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.34 68.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 1.25 111.011 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -36.83 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.34 110.097 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.58 -43.36 93.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.748 -0.66 . . . . 2.07 109.783 173.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.775 HD21 HG11 ' A' ' 829' ' ' VAL . 49.9 tp -65.47 -32.87 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.678 -0.692 . . . . 1.81 110.508 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.22 92.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.028 -0.606 . . . . 0.56 111.688 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 15.1 m -74.46 -21.7 59.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 1.03 110.844 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.659 HD11 HD13 ' A' ' 844' ' ' LEU . 1.7 mt -73.89 -31.41 63.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.973 0.416 . . . . 2.14 110.407 174.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.5 13.74 64.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.897 -0.668 . . . . 0.62 113.13 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.486 ' HB2' HD12 ' A' ' 844' ' ' LEU . 22.6 m-85 -96.19 172.74 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.74 0.27 . . . . 1.67 110.781 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.908 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.6 tp-100 -70.01 133.49 47.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 2.92 110.208 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 6.6 t -109.14 112.97 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.836 0.351 . . . . 1.39 111.134 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.23 112.17 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 1.95 109.388 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.551 HG22 HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -94.17 144.27 25.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.713 0.635 . . . . 1.24 112.713 -173.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -151.28 171.13 17.93 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.855 -0.611 . . . . 1.15 109.358 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.57 71.66 1.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.086 0.772 . . . . 2.4 113.086 -177.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.648 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.1 t70 162.06 164.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.17 0.988 . . . . 1.45 109.761 168.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -72.17 -41.19 54.36 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.935 -0.866 . . . . 0.66 110.935 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.75 -30.88 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 1.55 110.439 176.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 20.3 t0 -62.58 -32.67 73.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.84 110.041 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.15 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.42 -0.809 . . . . 1.2 110.903 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.611 ' HA ' HD13 ' A' ' 864' ' ' LEU . 1.4 pp -69.5 -27.7 65.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.318 . . . . 2.43 110.745 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -51.69 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 2.14 109.758 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -32.74 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.53 110.24 176.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' A' ' 861' ' ' LEU . 0.7 OUTLIER -65.6 -32.6 74.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 2.23 111.134 178.1 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.4 m -73.16 -28.9 62.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.97 110.171 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -22.8 23.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.024 -0.534 . . . . 3.88 111.982 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -149.95 141.11 23.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.409 0.147 . . . . 1.86 110.979 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -48.86 -65.89 0.49 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.681 0.613 . . . . 3.83 112.472 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.563 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.0 OUTLIER 66.25 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 123.601 0.563 . . . . 1.62 111.029 -173.007 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.465 ' N ' HG22 ' A' ' 869' ' ' ILE . 7.1 t0 -103.86 -55.28 2.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 1.64 110.806 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.423 HD11 HG13 ' A' ' 943' ' ' VAL . 12.9 mm -123.74 133.29 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.68 110.109 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.479 HG11 HD22 ' A' ' 828' ' ' LEU . 74.8 t -105.29 127.13 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 1.3 111.094 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 900' ' ' ILE . 11.7 mt -119.02 98.99 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.963 -0.562 . . . . 1.46 109.545 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.55 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -94.39 96.75 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.141 0.496 . . . . 1.37 110.075 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.609 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 0.3 OUTLIER -97.53 130.64 44.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.618 -0.719 . . . . 1.34 110.611 -178.155 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.7 112.92 33.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.327 -0.397 . . . . 1.82 110.989 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.32 12.76 31.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.533 0.683 . . . . 2.99 109.841 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.422 ' HA ' ' HD3' ' A' ' 879' ' ' PRO . 0.0 OUTLIER -121.24 126.64 26.48 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.275 -0.875 . . . . 4.08 109.831 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 878' ' ' MET . 8.3 Cg_exo -72.56 67.8 3.67 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.161 2.574 . . . . 4.07 112.378 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.93 164.05 26.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 5.43 110.966 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -37.19 64.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 5.88 110.924 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -96.9 109.99 22.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 4.99 110.943 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -124.84 22.77 6.37 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.939 -0.864 . . . . 3.04 110.939 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 1.006 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.9 p90 -138.9 -55.35 0.6 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.577 0.704 . . . . 3.02 112.032 -176.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.541 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.4 -24.77 57.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.199 -0.909 . . . . 3.74 111.216 -164.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.78 -34.79 78.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 122.122 0.963 . . . . 2.82 108.868 -171.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.471 HG23 HG23 ' A' ' 890' ' ' ILE . 31.5 m -80.57 -27.36 37.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.181 -1.372 . . . . 1.55 109.535 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 892' ' ' GLN . 0.4 OUTLIER -57.46 -45.51 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.336 -0.616 . . . . 2.4 109.336 173.108 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.89 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.3 -0.864 . . . . 2.86 110.759 175.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.471 HG23 HG23 ' A' ' 887' ' ' THR . 0.1 OUTLIER -63.0 -34.33 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.896 0.379 . . . . 2.15 110.761 177.423 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.444 ' HA ' HD22 ' A' ' 895' ' ' LEU . 1.2 ttp85 -67.03 -45.15 78.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.112 0.482 . . . . 2.75 110.329 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 42.5 mt-30 -67.01 -24.16 65.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 3.05 110.418 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -20.6 63.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 2.43 111.346 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.44 4.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.514 -0.851 . . . . 1.12 111.735 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -58.58 146.18 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.181 0.515 . . . . 3.34 111.639 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.12 32.35 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.856 -0.611 . . . . 2.85 110.534 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.16 158.63 34.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 1.91 109.806 -177.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.47 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 6.2 Cg_exo -78.42 138.28 15.51 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.096 2.53 . . . . 1.09 113.003 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.885 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.1 t -118.36 135.64 58.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.395 0.617 . . . . 1.31 111.17 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.513 ' HB ' HD22 ' A' ' 873' ' ' LEU . 27.5 mt -118.15 131.15 71.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.751 -0.659 . . . . 1.28 109.979 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -116.44 110.39 2.14 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.833 -0.699 . . . . 0.51 111.842 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.45 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 23.5 t -98.6 113.55 33.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.462 -0.57 . . . . 1.64 109.462 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 44.1 p -113.78 156.08 24.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 1.35 111.807 -170.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -109.52 104.91 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 1.59 110.761 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.22 43.45 26.6 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.707 0.63 . . . . 3.03 111.527 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 909' ' ' GLU . . . -90.71 89.5 7.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.509 . . . . 2.81 110.312 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.89 121.06 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.739 -0.664 . . . . 4.33 111.374 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 68.96 27.15 5.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.495 -0.775 . . . . 2.52 112.03 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.803 ' HB3' ' HB1' ' A' ' 906' ' ' ALA . 1.1 pm0 -65.67 -28.39 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.909 -0.404 . . . . 3.31 109.909 176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.451 ' HG3' ' OE1' ' A' ' 909' ' ' GLU . 26.5 mt-10 -59.8 -37.11 78.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.865 -0.607 . . . . 3.58 110.35 176.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -73.91 -36.2 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 2.7 110.593 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 1.006 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -71.1 -29.21 64.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.245 -0.582 . . . . 3.07 110.231 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.688 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.1 OUTLIER -63.39 -35.21 79.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 4.72 109.991 173.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.41 -26.51 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 2.18 110.145 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.109 -0.496 . . . . 2.39 111.841 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.688 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -77.89 -42.75 32.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.579 -0.448 . . . . 3.47 111.546 -178.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' SER . . . . . 0.43 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 50.6 m 52.26 50.49 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.493 0.923 . . . . 1.35 113.493 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -129.09 -8.31 3.76 Favored Glycine 0 C--N 1.317 -0.497 0 C-N-CA 120.158 -1.02 . . . . 1.02 111.724 173.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.885 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.1 ttm -78.83 -113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.264 . . . . 2.46 110.913 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.615 ' HB2' ' O ' ' A' ' 919' ' ' MET . 19.2 t0 160.43 -53.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.55 1.14 . . . . 1.26 109.23 174.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.5 m -131.51 140.66 49.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.913 -0.585 . . . . 1.26 111.146 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 3.8 m -123.01 130.63 53.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.322 -0.399 . . . . 2.14 109.926 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 10.0 mt -120.83 177.08 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.886 0.374 . . . . 1.28 110.925 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.74 139.66 33.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.746 -0.661 . . . . 1.11 110.025 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 1.5 tptt -49.36 -39.63 40.58 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 113.523 0.934 . . . . 1.69 113.523 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 44.0 Cg_endo -69.4 59.59 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.767 1.645 . . . . 1.33 112.567 171.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.9 166.66 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.338 -0.392 . . . . 1.94 110.59 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.56 171.95 13.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 1.48 110.322 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 929' ' ' LEU . 1.3 tm? -60.15 -46.27 90.24 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 123.282 0.364 . . . . 1.47 110.728 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 37.9 t70 -68.17 -41.53 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.961 -0.295 . . . . 1.85 111.044 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 11.2 t -60.77 -47.98 90.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.769 0.319 . . . . 1.51 110.571 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -24.61 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 1.69 110.274 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -40.26 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 2.36 110.634 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 0.9 OUTLIER -61.33 -49.69 75.94 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.029 -0.36 . . . . 2.76 110.029 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -45.71 91.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.23 111.347 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.25 -49.19 72.86 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.37 -0.377 . . . . 1.41 111.417 -178.04 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.0 m -65.18 -39.82 93.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.502 -0.317 . . . . 1.41 111.527 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -38.27 73.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 1.99 110.597 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 2.6 m-30 -71.61 -36.42 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.383 . . . . 1.99 110.56 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.58 -35.47 80.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 1.22 110.859 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.1 -33.98 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.157 -0.312 . . . . 1.87 110.157 177.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.536 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 14.6 tpp180 -65.98 -47.29 75.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.339 -0.391 . . . . 3.6 110.31 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.423 HG13 HD11 ' A' ' 871' ' ' ILE . 31.9 m -71.62 -30.02 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.814 -0.354 . . . . 1.3 110.351 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 1.1 tpt180 -62.85 -50.49 70.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.314 -0.403 . . . . 4.16 110.595 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.07 -39.38 93.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.991 -0.549 . . . . 3.22 110.815 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 14.9 m -72.4 -25.24 61.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 1.34 111.636 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -87.05 -61.86 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 4.07 110.557 178.455 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -170.56 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.924 -0.58 . . . . 2.64 110.107 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.842 -0.599 . . . . 5.37 109.649 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.005 0.431 . . . . 7.3 110.58 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -70.86 153.01 43.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 5.65 110.964 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.57 118.42 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.013 -0.54 . . . . 5.7 110.859 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.61 159.21 23.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.01 -0.541 . . . . 4.93 109.882 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -93.99 174.33 7.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.796 0.332 . . . . 4.74 110.906 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -119.47 -89.74 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 5.4 109.813 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 9.8 t70 -172.27 -133.7 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.208 -1.36 . . . . 5.08 107.563 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 25.0 t70 165.08 -67.93 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.945 0.778 . . . . 3.99 110.364 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.697 ' HE3' HG22 ' A' ' 943' ' ' VAL . 1.6 mmt -132.07 93.12 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.839 -0.618 . . . . 2.4 110.611 -177.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 26.7 ttm -89.01 117.34 27.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 2.38 110.121 177.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.487 HD13 HG23 ' A' ' 827' ' ' ILE . 1.3 mm -111.17 136.79 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 1.17 110.231 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 869' ' ' ILE . 17.4 tp -105.15 119.14 38.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 1.99 110.487 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.503 HG13 ' HG ' ' A' ' 840' ' ' LEU . 6.4 m -104.25 101.73 12.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.493 0.663 . . . . 1.67 110.181 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 856' ' ' ASP . 0.0 OUTLIER -109.48 86.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 1.56 111.485 -174.172 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.831 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -107.66 144.12 35.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.597 0.236 . . . . 1.3 110.945 -176.204 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.42 -9.58 44.15 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.728 0.64 . . . . 2.03 112.728 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 92.93 45.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.962 -0.461 . . . . 2.8 110.638 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -29.31 -41.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.755 1 C-N-CA 126.222 4.615 . . . . 1.39 116.869 -170.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -57.68 -36.35 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 120.877 0.37 . . . . 2.71 111.523 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.521 ' ND2' ' HZ2' ' A' ' 925' ' ' LYS . 71.8 m-20 -72.87 -38.46 66.98 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.632 -0.507 . . . . 2.24 109.632 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -53.4 -52.03 60.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 3.21 111.211 179.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.611 ' HD2' ' HG ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -67.02 -34.95 78.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.444 -0.344 . . . . 3.24 111.23 -177.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.611 ' HG ' ' HD2' ' A' ' 838' ' ' ARG . 20.6 mt -71.4 -45.74 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.232 0.539 . . . . 1.72 111.09 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.503 ' HG ' HG13 ' A' ' 829' ' ' VAL . 18.8 tp -68.16 -40.31 82.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.495 -0.775 . . . . 1.99 110.498 -178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 837' ' ' ARG . . . -67.89 -31.88 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.25 110.53 176.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -61.68 -50.78 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 1.34 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.781 ' HG3' HD21 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.01 -37.85 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 2.07 111.035 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 849' ' ' TYR . 12.4 tp -65.14 -37.86 88.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 1.81 110.828 177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.17 96.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.96 -0.564 . . . . 0.56 112.108 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -27.74 69.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.888 0.375 . . . . 1.03 110.595 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -29.02 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 2.14 110.754 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.91 19.62 53.02 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.863 -0.684 . . . . 0.62 111.661 -176.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 844' ' ' LEU . 7.6 m-85 -102.96 153.8 19.86 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 1.67 109.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.464 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 3.2 mm100 -69.29 128.79 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.923 0.392 . . . . 2.92 110.604 -177.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 112.77 23.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.082 -0.508 . . . . 1.39 110.986 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.08 123.02 48.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.18 -0.674 . . . . 1.95 109.18 175.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 131.04 43.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.473 0.546 . . . . 1.24 112.473 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.568 ' HB3' ' CG1' ' A' ' 830' ' ' VAL . . . -149.18 174.44 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 1.15 108.824 176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.643 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 7.5 p-10 -151.2 73.31 1.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.628 -0.829 . . . . 2.4 113.143 -171.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.643 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.3 t70 162.9 156.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.807 0.843 . . . . 1.45 109.88 167.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.473 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -68.85 -41.17 83.72 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.189 -1.005 . . . . 0.66 111.611 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.27 -30.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.752 0.31 . . . . 1.55 110.656 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.88 -30.93 71.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.032 0.444 . . . . 0.84 110.122 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.33 -44.58 88.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 1.2 110.79 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.752 HD13 HG12 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -66.47 -38.73 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 2.43 110.587 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.62 -52.05 67.2 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.604 -0.726 . . . . 2.14 110.943 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.5 HG21 HD12 ' A' ' 869' ' ' ILE . 13.7 p -70.42 -31.48 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.293 -0.412 . . . . 1.53 110.829 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -61.09 -37.54 83.1 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.434 -0.348 . . . . 2.23 111.526 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.1 -34.29 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.814 0.34 . . . . 0.97 110.466 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -56.02 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.964 -0.562 . . . . 3.88 110.927 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -131.79 137.92 48.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.874 -0.417 . . . . 1.86 109.874 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -77.35 92.22 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.26 0.552 . . . . 3.83 111.447 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 828' ' ' LEU . 1.4 mp -78.97 143.09 13.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.933 -1.136 . . . . 1.62 107.933 166.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.585 ' HB3' ' HE1' ' A' ' 825' ' ' MET . 0.8 OUTLIER -93.26 -25.95 17.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.435 0.532 . . . . 1.64 112.435 -169.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.577 HD11 HG11 ' A' ' 943' ' ' VAL . 22.6 mm -129.85 125.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.243 -0.28 . . . . 1.68 110.243 177.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.556 HG21 HD12 ' A' ' 897' ' ' LEU . 11.7 t -98.23 123.24 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 1.3 110.936 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.64 HD23 ' HB ' ' A' ' 900' ' ' ILE . 28.1 mt -121.11 98.22 5.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.884 -0.413 . . . . 1.46 109.884 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 33.6 p -91.56 103.73 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 1.37 109.847 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.831 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 17.1 t0 -87.17 105.22 17.05 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.551 -0.75 . . . . 1.34 110.159 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 27.6 t -107.76 119.43 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.811 -0.631 . . . . 1.82 111.207 -171.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.57 -25.81 10.72 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.462 -0.57 . . . . 2.99 109.462 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 2.4 tpt -118.68 77.94 14.96 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.628 -0.714 . . . . 4.08 111.646 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.524 ' HA ' ' HA3' ' A' ' 883' ' ' GLY . 71.5 Cg_endo -98.69 39.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.377 2.718 . . . . 4.07 112.075 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -82.92 -29.23 29.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 5.43 111.863 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 17.8 ttp -132.4 -50.03 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 5.88 110.654 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.437 ' HB3' ' H ' ' A' ' 883' ' ' GLY . 27.0 t70 -95.68 -92.41 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.178 -0.675 . . . . 4.99 109.178 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 879' ' ' PRO . . . 55.25 -107.13 0.68 Allowed Glycine 0 C--O 1.219 -0.789 0 C-N-CA 121.299 -0.476 . . . . 3.04 112.571 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.538 ' HD2' ' HG2' ' A' ' 916' ' ' GLU . 33.1 p90 -51.83 -30.17 22.35 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 122.602 1.191 . . . . 3.02 111.349 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.779 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 1.1 tmm_? -55.02 -28.92 55.83 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.744 -1.116 . . . . 3.74 109.948 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 890' ' ' ILE . 0.0 OUTLIER -63.79 -25.23 68.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.205 0.526 . . . . 2.82 109.667 -177.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.715 HG21 ' H ' ' A' ' 918' ' ' GLY . 0.6 OUTLIER -71.54 -31.32 66.89 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.1 -1.074 . . . . 1.55 108.1 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.668 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.3 tt0 -65.64 -44.06 87.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.532 -1.213 . . . . 2.4 110.428 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -60.74 -38.63 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 2.86 110.34 177.445 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.752 HG12 HD13 ' A' ' 861' ' ' LEU . 56.0 mt -59.58 -51.01 77.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.064 -0.516 . . . . 2.15 111.031 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -41.52 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 2.75 110.85 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.461 HE21 ' HG2' ' A' ' 888' ' ' GLN . 1.1 mp0 -67.24 -30.71 70.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 3.05 110.718 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -55.48 9.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 2.43 109.874 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.67 72.53 0.25 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.732 -0.747 . . . . 1.12 111.928 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.413 ' HB3' HG22 ' A' ' 890' ' ' ILE . 0.7 OUTLIER -67.72 135.64 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 3.34 110.689 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.15 -1.22 14.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.113 -0.494 . . . . 2.85 110.406 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 872' ' ' VAL . 1.0 OUTLIER -137.31 158.63 71.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.65 -0.704 . . . . 1.91 110.194 -174.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.27 129.63 26.11 Favored 'Trans proline' 0 C--O 1.244 0.822 0 C-N-CA 123.131 2.554 . . . . 1.09 113.571 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.748 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 12.0 t -111.59 121.77 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.639 -0.71 . . . . 1.31 110.252 174.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.64 ' HB ' HD23 ' A' ' 873' ' ' LEU . 1.1 mt -114.31 116.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.73 -0.668 . . . . 1.28 109.497 176.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -102.5 126.64 8.94 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.449 -0.881 . . . . 0.51 112.136 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.534 ' HB ' ' OD1' ' A' ' 875' ' ' ASP . 2.1 t -91.12 95.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.203 -0.665 . . . . 1.64 109.203 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.91 173.46 7.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.815 -0.63 . . . . 1.35 111.445 -173.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -142.99 103.66 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.643 0.258 . . . . 1.59 110.869 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.96 -103.64 0.11 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.553 -0.749 . . . . 3.03 111.291 175.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 58.62 18.24 5.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.966 0.506 . . . . 2.81 111.642 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.2 mp 69.95 -53.64 0.62 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.702 0.801 . . . . 4.33 111.713 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 911' ' ' LYS . . . -139.92 71.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.424 -0.353 . . . . 2.52 110.384 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.6 -50.74 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 3.31 111.537 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -61.15 -40.94 95.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 3.58 110.588 -179.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 908' ' ' ALA . 1.0 OUTLIER -63.54 -36.52 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 2.7 110.754 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.531 ' HB3' ' CG ' ' A' ' 884' ' ' TYR . 2.7 mp0 -73.4 -31.0 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 3.07 109.992 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.686 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 11.5 ttp180 -66.73 -27.53 67.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.829 -0.623 . . . . 4.72 110.085 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 70.3 m -76.27 -30.34 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 2.18 110.638 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -51.32 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 2.39 111.075 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.739 ' HG3' ' HA ' ' A' ' 885' ' ' ARG . 8.9 mm-40 -78.05 -25.77 47.97 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.946 -0.57 . . . . 3.47 110.564 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.52 53.12 13.5 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.476 1.658 . . . . 1.35 115.476 166.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.715 ' H ' HG21 ' A' ' 887' ' ' THR . . . -141.29 25.63 2.48 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.413 -1.375 . . . . 1.02 113.966 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.748 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.1 ttt -113.94 -100.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.563 0.681 . . . . 2.46 111.734 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.3 t70 160.5 -57.33 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.364 -1.289 . . . . 1.26 107.711 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 58.4 m -147.59 160.27 42.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.116 -0.947 . . . . 1.26 110.749 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.686 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -133.01 147.54 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 2.14 110.41 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.62 -175.69 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.502 -0.555 . . . . 1.28 109.502 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.96 135.83 50.89 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.287 -0.165 . . . . 1.11 111.008 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.521 ' HZ2' ' ND2' ' A' ' 836' ' ' ASN . 0.1 OUTLIER -43.64 -47.47 19.38 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.494 0.924 . . . . 1.69 113.494 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 22.0 Cg_exo -67.8 60.14 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.102 1.868 . . . . 1.33 112.445 174.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 1.1 t -89.33 143.4 11.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 1.94 110.41 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.62 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.435 -0.348 . . . . 1.48 111.413 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.781 HD21 ' HG3' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -55.53 -40.15 71.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.04 -0.527 . . . . 1.47 111.512 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.6 -43.24 60.21 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.941 -0.304 . . . . 1.85 111.109 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.65 -45.48 97.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.069 0.462 . . . . 1.51 110.621 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.4 tt -65.0 -28.87 45.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.211 -0.45 . . . . 1.69 110.719 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.535 ' HE2' ' HB3' ' A' ' 933' ' ' LYS . 0.3 OUTLIER -69.05 -47.61 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.523 -0.308 . . . . 2.36 111.472 -178.486 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -44.85 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 2.76 110.423 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.605 -0.271 . . . . 1.23 111.477 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.4 OUTLIER -57.08 -56.61 19.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.318 0.58 . . . . 1.41 110.667 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.7 m -61.86 -41.01 97.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.06 -0.973 . . . . 1.41 111.373 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 1.99 111.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.16 -27.33 30.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.159 0.429 . . . . 1.99 112.159 -174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.69 96.66 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.311 0.577 . . . . 1.22 110.102 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 5.2 pt-20 -74.23 -26.97 60.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.868 -0.605 . . . . 1.87 110.35 177.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -69.08 -48.48 62.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 3.6 110.809 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.697 HG22 ' HE3' ' A' ' 825' ' ' MET . 5.7 m -65.14 -33.87 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 1.3 110.386 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -65.26 -43.06 92.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 4.16 110.459 175.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.6 mtmm -64.32 -45.67 86.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 3.22 110.915 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.8 m -63.57 -41.03 98.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 1.34 111.935 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -76.07 -23.22 55.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.951 0.405 . . . . 4.07 111.063 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.11 -43.34 57.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.946 -0.57 . . . . 2.64 109.782 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-N 115.292 -0.867 . . . . 5.37 111.113 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.927 0.394 . . . . 7.3 110.154 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -163.06 123.95 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.138 -0.483 . . . . 5.65 111.196 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 20.3 t -125.69 65.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.715 . . . . 5.7 109.071 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.36 92.82 3.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 4.93 110.44 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -141.29 154.75 45.89 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.105 -0.498 . . . . 4.74 110.375 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.64 -71.8 0.23 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.652 -0.704 . . . . 5.4 109.118 174.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 8.1 t0 10.42 64.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 O-C-N 125.363 1.664 . . . . 5.08 113.592 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -120.2 65.31 0.83 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.929 -0.578 . . . . 3.99 110.657 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.471 ' HE1' HG22 ' A' ' 943' ' ' VAL . 3.3 ttm -86.38 106.2 17.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.756 -0.656 . . . . 2.4 109.608 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.504 ' CG ' ' HA ' ' A' ' 869' ' ' ILE . 0.7 OUTLIER -91.22 124.46 35.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.286 0.565 . . . . 2.38 110.643 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.736 ' HB ' HD23 ' A' ' 844' ' ' LEU . 1.2 mm -112.97 132.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.216 -0.902 . . . . 1.17 109.615 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.541 HD11 ' HB2' ' A' ' 854' ' ' ALA . 22.1 tp -100.99 111.66 23.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.676 0.274 . . . . 1.99 110.895 -176.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.501 HG12 HD21 ' A' ' 840' ' ' LEU . 1.5 m -92.5 95.59 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.54 . . . . 1.67 109.812 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.727 HG12 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.21 82.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 1.56 110.924 -176.001 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -104.53 138.75 40.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.918 0.389 . . . . 1.3 110.731 -176.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -18.6 35.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.832 -0.622 . . . . 2.03 112.234 -175.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 3.0 m80 -128.61 102.04 20.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 121.91 -0.494 . . . . 2.8 110.946 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 7.9 Cg_exo -30.21 -41.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.807 1 C-N-CA 126.901 5.068 . . . . 1.39 117.184 -165.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -34.89 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 117.93 0.332 . . . . 2.71 111.636 -175.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.17 -25.24 29.73 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.465 -0.494 . . . . 2.24 111.205 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 5.5 ttp-105 -62.2 -53.35 56.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 3.21 110.4 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.42 91.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.665 -0.698 . . . . 3.24 110.813 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.95 -41.59 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 1.72 110.784 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.722 HD13 HD13 ' A' ' 932' ' ' ILE . 15.9 tp -66.47 -37.53 85.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 1.99 110.433 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.65 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.25 110.537 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.09 -45.5 81.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 1.34 109.793 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -40.81 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.706 -0.679 . . . . 2.07 110.572 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.736 HD23 ' HB ' ' A' ' 827' ' ' ILE . 6.9 tp -62.87 -32.35 73.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 1.81 110.694 176.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.43 91.44 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.825 -0.625 . . . . 0.56 111.977 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 1.03 110.226 175.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.633 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -72.41 -34.3 67.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.882 -0.599 . . . . 2.14 110.182 175.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 83.71 25.28 46.8 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.624 -0.717 . . . . 0.62 112.243 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.423 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 0.6 OUTLIER -99.77 167.54 10.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 1.67 111.399 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.55 127.05 31.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.845 -0.616 . . . . 2.92 110.785 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.7 m -105.66 119.12 38.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.151 -0.477 . . . . 1.39 110.625 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.538 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.0 OUTLIER -110.86 116.52 31.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 1.95 109.672 177.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 129.17 35.83 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.452 0.538 . . . . 1.24 112.452 -172.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.727 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -156.78 163.81 38.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.457 -0.942 . . . . 1.15 108.457 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -146.85 70.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.292 -0.963 . . . . 2.4 112.712 -171.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.681 ' OD2' HG23 ' A' ' 858' ' ' VAL . 0.0 OUTLIER 160.64 158.23 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.399 1.062 . . . . 1.45 109.504 171.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.07 -45.9 90.42 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.24 -0.505 . . . . 0.66 113.246 -176.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.681 HG23 ' OD2' ' A' ' 856' ' ' ASP . 34.9 m -74.74 -29.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 117.195 0.497 . . . . 1.55 112.006 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.15 -28.02 69.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.889 0.376 . . . . 0.84 110.444 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -61.11 -38.02 84.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 1.2 110.132 173.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 890' ' ' ILE . 3.2 mm? -67.82 -40.32 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 2.43 110.215 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.86 -53.37 59.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.609 -0.723 . . . . 2.14 110.545 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.55 -32.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.261 -0.427 . . . . 1.53 110.716 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.1 OUTLIER -63.11 -40.17 96.83 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.954 0.407 . . . . 2.23 110.519 176.198 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 12.8 m -69.24 -27.31 65.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.452 . . . . 0.97 110.555 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -45.45 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 3.88 111.551 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.33 146.32 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 1.86 110.774 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.07 112.39 9.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.279 0.561 . . . . 3.83 111.255 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.537 HG22 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -96.43 145.37 8.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.076 -1.083 . . . . 1.62 108.076 168.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.467 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.2 m-20 -90.18 -47.13 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.843 -0.343 . . . . 1.64 111.535 -173.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.466 HD12 ' HB3' ' A' ' 939' ' ' TYR . 12.4 mm -122.24 122.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.849 -0.426 . . . . 1.68 109.849 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.07 124.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.955 -0.298 . . . . 1.3 110.781 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.803 -0.443 . . . . 1.46 109.803 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.58 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 1.37 110.673 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.646 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 61.8 t0 -102.98 120.07 39.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.38 -0.827 . . . . 1.34 110.456 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.5 118.4 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.351 -0.386 . . . . 1.82 111.235 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -101.68 -14.35 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.122 0.487 . . . . 2.99 110.103 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.442 ' HA ' ' HD3' ' A' ' 879' ' ' PRO . 6.4 ttp -84.16 109.88 22.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 4.08 110.35 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 878' ' ' MET . 4.8 Cg_exo -78.13 65.22 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.387 2.724 . . . . 4.07 112.45 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -101.1 -178.24 3.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 5.43 109.655 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 10.3 mtm -84.83 30.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 5.88 110.079 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.64 -24.27 12.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 4.99 110.34 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' A' ' 885' ' ' ARG . . . -56.15 150.32 24.69 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 110.523 -1.031 . . . . 3.04 110.523 174.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 1.068 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER 65.75 -56.35 0.34 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.415 0.626 . . . . 3.02 111.123 -168.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -59.21 -27.38 65.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.675 -0.693 . . . . 3.74 112.231 -168.111 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 886' ' ' LEU . 0.2 OUTLIER -72.82 -26.46 61.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.535 1.159 . . . . 2.82 108.58 -171.243 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 1.083 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 56.7 m -84.89 -24.67 28.4 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 113.953 -1.476 . . . . 1.55 108.843 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 11.8 tm0? -56.84 -39.71 74.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.116 -0.698 . . . . 2.4 109.116 169.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -43.95 88.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.512 -0.767 . . . . 2.86 109.95 170.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 861' ' ' LEU . 0.3 OUTLIER -53.8 -41.32 47.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.921 0.391 . . . . 2.15 110.68 175.014 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 2.75 110.992 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.73 -40.05 82.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 3.05 110.535 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -49.45 33.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.806 -0.634 . . . . 2.43 110.194 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.78 92.18 2.25 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.082 -0.807 . . . . 1.12 111.082 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.623 ' HG ' HG21 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -88.49 155.04 19.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.383 0.611 . . . . 3.34 111.74 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.5 t -124.95 13.19 8.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 2.85 109.51 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.583 HD22 HD23 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -139.2 159.67 65.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.11 -0.95 . . . . 1.91 110.263 -174.067 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.65 139.02 12.33 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 123.104 2.536 . . . . 1.09 113.117 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.742 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 68.2 t -112.73 122.31 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.437 0.636 . . . . 1.31 110.821 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 0.0 OUTLIER -100.92 112.78 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.685 -0.689 . . . . 1.28 109.198 174.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.37 104.37 3.16 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.519 -0.848 . . . . 0.51 112.576 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.646 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.2 t -79.62 94.23 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.812 . . . . 1.64 108.806 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.88 130.9 54.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.051 0.453 . . . . 1.35 112.167 -171.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -119.14 128.81 54.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.816 -0.629 . . . . 1.59 109.842 173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 65.84 22.61 11.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.194 0.521 . . . . 3.03 111.33 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -113.69 90.87 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 2.81 109.984 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 168.71 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 4.33 111.118 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 60.96 34.14 19.54 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.415 0.626 . . . . 2.52 109.796 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -70.9 -26.22 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.057 -0.974 . . . . 3.31 111.622 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.76 -48.29 69.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.244 -0.65 . . . . 3.58 109.244 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -35.32 78.54 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.509 -0.769 . . . . 2.7 110.818 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 1.068 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -68.69 -36.94 79.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.472 -0.491 . . . . 3.07 109.855 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.475 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -61.51 -31.53 71.53 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.647 0.592 . . . . 4.72 110.457 177.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.24 -34.68 59.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.247 -0.433 . . . . 2.18 110.722 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -51.88 21.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 2.39 111.956 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 1.083 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -77.16 -31.77 55.77 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.984 -0.376 . . . . 3.47 109.984 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.61 51.58 15.78 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.648 0.981 . . . . 1.35 113.648 172.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -143.64 -2.94 0.87 Allowed Glycine 0 C--N 1.317 -0.492 0 C-N-CA 119.548 -1.31 . . . . 1.02 112.765 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.742 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.0 OUTLIER -77.92 -128.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 2.46 111.552 -175.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.467 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.6 t70 173.77 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.512 -0.921 . . . . 1.26 108.512 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.419 ' HG ' ' HH ' ' A' ' 939' ' ' TYR . 11.4 m -142.03 140.47 32.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.688 -0.687 . . . . 1.26 110.336 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 140.27 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.429 -0.35 . . . . 2.14 110.797 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.96 -179.65 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 1.28 110.333 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.513 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -106.54 158.95 16.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.975 -0.557 . . . . 1.11 110.147 179.179 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.585 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 1.9 tptt -52.18 -48.85 87.63 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.764 0.653 . . . . 1.69 112.764 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 8.2 Cg_exo -73.29 70.02 3.97 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.038 1.825 . . . . 1.33 112.565 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.21 117.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.532 . . . . 1.94 110.792 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.02 157.45 25.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 1.48 110.918 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.404 ' HA ' HD21 ' A' ' 929' ' ' LEU . 1.2 tm? -53.51 -46.54 70.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 1.47 111.378 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . 0.528 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 1.7 t0 -75.0 -27.31 60.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.831 -0.348 . . . . 1.85 111.406 -176.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.67 -47.63 75.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 1.51 109.237 176.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.722 HD13 HD13 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -68.55 -21.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 1.69 110.521 176.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.528 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -68.93 -43.23 75.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 2.36 111.051 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.03 -42.33 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.305 -0.558 . . . . 2.76 110.08 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.57 82.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 1.23 111.207 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.633 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -61.03 -49.93 75.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.185 -0.461 . . . . 1.41 110.706 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 87.3 m -62.27 -44.25 96.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.106 -0.497 . . . . 1.41 111.285 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 3.2 tp -65.81 -38.85 90.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 1.99 111.048 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.639 ' HA ' ' HD2' ' A' ' 942' ' ' ARG . 3.8 m-30 -72.24 -41.69 66.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.379 -0.373 . . . . 1.99 110.8 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.71 95.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 1.22 111.307 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -68.71 -39.09 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.808 -0.357 . . . . 1.87 110.268 178.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -68.1 -40.89 82.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.394 -0.366 . . . . 3.6 111.32 -176.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.471 HG22 ' HE1' ' A' ' 825' ' ' MET . 28.4 m -73.34 -30.28 30.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.87 0.367 . . . . 1.3 110.345 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.12 98.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.735 -0.468 . . . . 4.16 109.735 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.444 ' HZ1' ' CD ' ' A' ' 941' ' ' GLU . 6.2 mmtp -64.91 -43.81 91.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.582 . . . . 3.22 110.077 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.8 m -63.95 -17.54 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.114 -0.493 . . . . 1.34 111.937 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -30.48 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.576 0.227 . . . . 4.07 111.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 -38.73 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.568 -0.287 . . . . 2.64 111.645 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.54 -0.743 . . . . 5.37 110.638 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 110.003 -0.369 . . . . 7.3 110.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -82.79 49.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 5.65 111.313 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 43.8 t -136.34 108.4 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.266 -0.642 . . . . 5.7 109.266 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 11.6 p -141.82 -82.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.179 0.514 . . . . 4.93 111.465 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -77.35 172.87 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 4.74 111.495 -174.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -146.16 -22.01 0.44 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 5.4 110.436 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 3.9 t0 54.11 60.04 3.85 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.559 0.695 . . . . 5.08 109.928 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -78.67 60.95 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 3.99 110.891 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.502 ' HE3' ' HA ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -79.68 103.72 9.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 2.4 110.627 -178.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.441 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 17.3 mtm -94.39 124.02 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.513 -0.767 . . . . 2.38 110.46 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 827' ' ' ILE . 1.2 mm -116.62 137.18 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.548 -0.751 . . . . 1.17 110.046 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.599 HD23 HG13 ' A' ' 872' ' ' VAL . 23.9 tp -106.63 107.5 18.54 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.276 -0.42 . . . . 1.99 110.14 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.566 HG12 ' HG ' ' A' ' 840' ' ' LEU . 0.2 OUTLIER -97.48 95.64 4.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 1.67 110.194 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.5 t -105.78 140.99 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 1.56 109.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.39 149.01 20.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.111 -0.329 . . . . 1.3 110.111 173.463 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -16.71 34.69 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.224 0.453 . . . . 2.03 112.224 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -118.31 90.15 37.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 119.824 -0.131 . . . . 2.8 110.672 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -34.32 -35.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.829 1 C-N-CA 125.507 4.138 . . . . 1.39 116.568 -168.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.09 -38.2 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.852 0.358 . . . . 2.71 111.139 178.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.06 -27.8 30.02 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.211 -0.306 . . . . 2.24 110.37 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 4.1 ttp180 -55.06 -49.05 72.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.233 0.54 . . . . 3.21 110.375 172.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.3 OUTLIER -66.82 -36.54 82.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 3.24 110.616 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.09 73.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 1.72 111.399 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 932' ' ' ILE . 33.1 tp -64.01 -41.83 97.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.99 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.64 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 1.25 110.887 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -48.4 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.329 0.585 . . . . 1.34 110.232 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.41 ' CG ' HD21 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.62 -32.62 73.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 2.07 110.45 178.44 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.67 -31.91 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 1.81 110.199 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.65 91.04 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.841 -0.618 . . . . 0.56 111.788 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -35.31 75.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.769 0.319 . . . . 1.03 110.214 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.748 HD12 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -69.94 -50.13 44.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.056 0.455 . . . . 2.14 110.462 174.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.33 22.66 21.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.86 -0.686 . . . . 0.62 112.952 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.51 175.86 6.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.006 -0.368 . . . . 1.67 110.006 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.6 OUTLIER -69.61 119.21 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.686 0.279 . . . . 2.92 111.23 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 103.24 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 1.39 110.936 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -105.07 113.51 27.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.887 -0.412 . . . . 1.95 109.887 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -90.88 145.46 24.73 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.944 0.72 . . . . 1.24 112.944 -172.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.463 ' O ' ' HD2' ' A' ' 837' ' ' ARG . . . -146.77 170.02 17.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.529 -1.285 . . . . 1.15 107.529 171.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 2.0 p-10 -145.01 72.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.102 -1.039 . . . . 2.4 112.991 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.614 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 4.4 t70 162.78 160.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.094 0.871 . . . . 1.45 109.264 172.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.501 ' HA2' HD21 ' A' ' 886' ' ' LEU . . . -68.08 -49.85 44.25 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.502 -0.856 . . . . 0.66 110.966 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -28.47 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.576 0.226 . . . . 1.55 110.905 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.2 t0 -58.39 -32.5 68.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.84 110.453 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.24 79.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 1.2 110.672 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.54 -39.52 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 2.43 110.242 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -51.82 59.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 2.14 110.579 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.406 HG12 HD12 ' A' ' 828' ' ' LEU . 9.0 p -67.1 -32.17 56.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.586 -0.279 . . . . 1.53 111.349 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 897' ' ' LEU . 6.1 mt -68.61 -31.89 71.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.957 0.408 . . . . 2.23 111.214 178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 30.4 m -79.08 -21.04 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.908 0.385 . . . . 0.97 110.769 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -43.18 13.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 3.88 111.019 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.08 150.0 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.469 -0.332 . . . . 1.86 110.569 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.58 93.63 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.999 0.428 . . . . 3.83 110.921 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.2 mp -81.04 155.81 4.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.241 -0.651 . . . . 1.62 109.241 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -67.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.524 -0.47 . . . . 1.64 111.034 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.424 HD13 HG11 ' A' ' 943' ' ' VAL . 48.8 mm -94.39 116.61 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.339 -0.391 . . . . 1.68 110.174 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.599 HG13 HD23 ' A' ' 828' ' ' LEU . 53.4 t -106.37 123.15 60.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.599 0.238 . . . . 1.3 110.795 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.41 HD21 ' HB ' ' A' ' 900' ' ' ILE . 1.1 mt -121.22 114.57 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.417 . . . . 1.46 109.942 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.501 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 6.4 p -111.04 107.3 16.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.743 0.306 . . . . 1.37 110.387 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 60.6 t0 -92.23 121.31 33.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.791 -0.641 . . . . 1.34 110.723 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.74 122.54 68.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.769 -0.65 . . . . 1.82 109.896 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -84.1 -21.89 31.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.697 0.761 . . . . 2.99 109.5 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 28.4 ttm -128.53 117.36 19.85 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 114.84 -1.073 . . . . 4.08 111.226 -170.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.602 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 60.8 Cg_endo -73.17 8.18 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.996 2.464 . . . . 4.07 112.267 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -88.67 -1.14 57.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 5.43 110.999 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 1.2 ptp -131.06 -167.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 5.88 111.231 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.446 ' OD1' ' HB3' ' A' ' 885' ' ' ARG . 0.2 OUTLIER -73.32 76.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 4.99 111.553 -174.396 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -101.54 -86.4 1.93 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.892 -0.883 . . . . 3.04 110.892 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.631 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 1.1 p90 -46.27 -51.54 14.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.353 1.073 . . . . 3.02 110.474 169.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.679 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.1 OUTLIER -58.43 -26.96 63.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.164 -1.38 . . . . 3.74 111.58 -176.309 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.743 HD12 HD11 ' A' ' 890' ' ' ILE . 0.3 OUTLIER -67.8 -27.17 66.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.274 -1.01 . . . . 2.82 108.274 -175.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.878 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -80.23 -26.06 39.28 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 113.894 -1.503 . . . . 1.55 108.22 -178.561 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 3.6 tp-100 -62.84 -40.09 96.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 2.4 109.416 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -36.9 83.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.86 110.176 177.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.743 HD11 HD12 ' A' ' 886' ' ' LEU . 75.9 mt -62.14 -35.65 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 2.15 110.303 176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.704 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -65.13 -36.46 84.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 2.75 110.519 176.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -76.74 -18.81 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.206 0.527 . . . . 3.05 110.483 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -25.53 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 2.43 110.432 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 83.15 80.37 1.0 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 1.12 111.933 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 890' ' ' ILE . 1.0 OUTLIER -73.43 142.41 46.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.09 0.471 . . . . 3.34 111.257 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 20.71 6.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.668 -0.696 . . . . 2.85 109.525 174.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 864' ' ' LEU . 0.2 OUTLIER -141.6 160.66 55.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.16 -0.927 . . . . 1.91 110.209 -172.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.6 113.18 3.72 Favored 'Trans proline' 0 C--O 1.24 0.575 0 C-N-CA 122.711 2.274 . . . . 1.09 112.262 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 32.6 t -99.09 110.08 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.303 0.573 . . . . 1.31 110.048 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.499 HG23 HD13 ' A' ' 923' ' ' LEU . 0.7 OUTLIER -101.79 107.37 21.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.395 0.617 . . . . 1.28 109.829 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.66 101.64 2.66 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.504 -0.771 . . . . 0.51 112.616 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.665 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 30.5 t -75.84 121.08 26.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.527 -0.916 . . . . 1.64 108.527 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -134.29 139.66 45.86 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.663 -0.415 . . . . 1.35 111.661 -173.136 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -105.37 104.14 13.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 1.59 110.049 173.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 50.03 67.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.627 -0.715 . . . . 3.03 111.812 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' A' ' 909' ' ' GLU . . . -89.43 5.58 44.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.395 -0.366 . . . . 2.81 110.256 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.7 mt 59.76 83.48 0.13 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.337 -0.847 . . . . 4.33 110.797 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 65.16 52.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.586 -0.734 . . . . 2.52 110.413 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 906' ' ' ALA . 1.5 pm0 -57.37 -22.84 45.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.565 -0.743 . . . . 3.31 111.576 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -58.77 -48.21 82.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 3.58 110.354 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.72 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 2.7 110.375 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.631 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.0 mp0 -64.22 -40.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 3.07 110.253 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -59.94 -39.83 86.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 4.72 110.744 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 33.5 m -73.05 -32.42 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 2.18 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -47.58 59.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.007 -0.542 . . . . 2.39 111.123 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.878 ' HB2' HG22 ' A' ' 887' ' ' THR . 24.7 mm-40 -78.04 -24.18 47.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.007 0.432 . . . . 3.47 110.313 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' SER . . . . . 0.704 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER 51.21 50.98 17.9 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.937 1.088 . . . . 1.35 113.937 170.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.581 ' N ' HG21 ' A' ' 887' ' ' THR . . . -148.39 26.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.682 -0.77 . . . . 1.02 112.543 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.715 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.2 ttm -113.81 -110.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.963 0.411 . . . . 2.46 111.544 -173.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.543 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.0 t70 163.73 -60.17 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.761 -1.2 . . . . 1.26 107.761 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.11 163.71 36.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.028 -0.987 . . . . 1.26 109.601 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 139.99 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 2.14 110.927 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 900' ' ' ILE . 1.7 mt -122.59 -175.14 3.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 1.28 109.522 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.5 m -111.27 151.2 28.6 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.563 -0.162 . . . . 1.11 110.563 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.626 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 4.6 tttp -47.97 -42.53 49.04 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.436 0.902 . . . . 1.69 113.436 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.6 Cg_endo -65.13 61.45 0.32 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.172 1.915 . . . . 1.33 113.574 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 927' ' ' VAL . 0.8 OUTLIER -77.63 81.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.587 -0.523 . . . . 1.94 109.587 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -176.82 3.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 1.48 110.588 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.41 HD21 ' CG ' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -29.81 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.311 0.576 . . . . 1.47 109.613 175.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -68.06 -61.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 1.85 109.884 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.68 -43.14 86.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.579 -0.737 . . . . 1.51 111.587 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 840' ' ' LEU . 3.0 tt -68.44 -32.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.925 0.343 . . . . 1.69 111.925 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -76.03 -44.84 37.4 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 2.36 111.844 -176.045 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -42.9 98.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.41 -0.516 . . . . 2.76 110.029 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.4 m -67.69 -50.2 58.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 1.23 111.509 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.748 ' HG ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -61.62 -50.31 73.09 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.751 -0.204 . . . . 1.41 111.286 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 11.6 m -61.69 -44.2 97.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.469 -0.332 . . . . 1.41 111.689 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -69.43 -36.05 76.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.731 0.301 . . . . 1.99 111.294 -177.146 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -81.16 -32.19 33.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.818 -0.353 . . . . 1.99 111.461 -177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.502 ' HA ' ' HE3' ' A' ' 825' ' ' MET . . . -63.53 -43.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.03 0.443 . . . . 1.22 110.667 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.8 OUTLIER -71.73 -34.05 69.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.573 -0.451 . . . . 1.87 110.307 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.578 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.58 -42.93 91.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.684 -0.234 . . . . 3.6 111.251 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.52 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 17.2 m -72.71 -30.66 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.585 -0.446 . . . . 1.3 110.566 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -70.21 -43.74 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 4.16 111.071 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -73.32 -33.87 65.39 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.001 -0.28 . . . . 3.22 111.092 -179.526 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 34.1 m -73.69 -19.04 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 1.34 110.857 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -83.87 -56.66 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 4.07 110.269 176.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.8 t0 57.78 85.39 0.09 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 124.037 0.836 . . . . 2.64 111.558 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-N 115.508 -0.769 . . . . 5.37 109.795 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.7 mptt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.991 -0.374 . . . . 7.3 109.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -153.05 -178.44 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.372 -0.376 . . . . 5.65 110.977 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.27 119.29 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.399 -0.593 . . . . 5.7 109.399 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 105.57 10.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.109 -0.496 . . . . 4.93 110.404 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -88.75 122.61 32.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.021 -0.536 . . . . 4.74 110.179 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -70.19 -84.48 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.784 0.802 . . . . 5.4 110.492 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -173.85 100.32 0.11 Allowed 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 113.738 -1.574 . . . . 5.08 108.435 -175.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -69.85 -5.23 24.31 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.577 -1.192 . . . . 3.99 112.258 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -142.81 119.83 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 2.4 111.132 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.4 ptp -113.94 122.57 47.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.144 0.497 . . . . 2.38 110.596 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.81 ' HB ' HD22 ' A' ' 844' ' ' LEU . 2.7 mm -119.09 140.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.478 -0.783 . . . . 1.17 110.074 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.871 ' HB2' HG23 ' A' ' 869' ' ' ILE . 11.6 tp -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.99 110.938 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.621 HG22 HG21 ' A' ' 853' ' ' THR . 0.0 OUTLIER -95.2 98.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.444 0.64 . . . . 1.67 109.904 176.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 21.0 t -109.62 143.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.53 -0.759 . . . . 1.56 110.106 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.721 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.49 146.04 18.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.056 -0.72 . . . . 1.3 109.056 171.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -13.29 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.529 0.566 . . . . 2.03 112.529 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.9 OUTLIER -130.95 92.97 32.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 O-C-N 122.198 -0.314 . . . . 2.8 110.744 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 67.6 Cg_exo -22.86 -44.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 1 C-N-CA 127.257 5.305 . . . . 1.39 118.02 -167.198 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.7 OUTLIER -55.31 -37.04 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 117.994 0.361 . . . . 2.71 111.958 -175.511 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -75.05 -39.46 60.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.904 -0.318 . . . . 2.24 110.18 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.857 ' HD3' ' HB ' ' A' ' 853' ' ' THR . 6.9 ttm180 -58.07 -47.66 82.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 3.21 111.535 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -67.95 -35.32 78.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 3.24 111.14 -177.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.35 75.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.071 0.463 . . . . 1.72 110.384 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.613 HD12 HD11 ' A' ' 932' ' ' ILE . 14.7 tp -63.27 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 1.99 110.533 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.45 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 1.25 111.36 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.54 -44.2 75.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 1.34 109.777 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.651 ' HG3' HD21 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -61.81 -49.63 75.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.405 -0.816 . . . . 2.07 110.394 177.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.81 HD22 ' HB ' ' A' ' 827' ' ' ILE . 42.6 tp -60.21 -41.59 93.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.929 -0.578 . . . . 1.81 111.066 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.78 -33.75 88.09 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.976 -0.63 . . . . 0.56 112.205 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 21.9 m -68.63 -26.99 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.319 . . . . 1.03 111.026 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.494 HD12 ' HG ' ' A' ' 936' ' ' LEU . 17.7 mt -71.27 -36.81 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 2.14 110.58 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 113.35 33.35 1.96 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.643 -0.789 . . . . 0.62 112.362 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -119.31 160.24 22.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.057 -0.349 . . . . 1.67 110.057 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 116.25 23.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 2.92 110.271 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.585 ' HB3' HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -91.41 108.67 20.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.64 -0.709 . . . . 1.39 111.614 -176.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 113.76 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.135 -0.691 . . . . 1.95 109.135 174.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.857 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 25.5 p -90.84 149.13 22.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.218 0.533 . . . . 1.24 112.052 -171.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.464 ' HB3' HG23 ' A' ' 830' ' ' VAL . . . -153.7 172.48 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.284 -0.871 . . . . 1.15 109.393 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.633 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.59 70.54 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.158 -0.617 . . . . 2.4 112.104 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t70 161.39 166.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.288 1.035 . . . . 1.45 109.593 170.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.488 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -75.41 -42.55 27.4 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.602 -0.809 . . . . 0.66 111.123 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 14.9 m -73.29 -28.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 1.55 110.677 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -55.45 -41.41 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.308 0.575 . . . . 0.84 109.88 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.378 -0.828 . . . . 1.2 110.96 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.953 HD22 HG13 ' A' ' 890' ' ' ILE . 2.8 mm? -57.78 -44.28 86.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.095 0.474 . . . . 2.43 110.948 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.67 -52.54 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.642 -0.708 . . . . 2.14 111.064 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.695 ' HA ' ' HE2' ' A' ' 866' ' ' LYS . 13.5 p -65.83 -32.83 59.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 1.53 111.043 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.556 HD23 HD21 ' A' ' 897' ' ' LEU . 7.8 mt -65.03 -34.57 78.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.864 0.364 . . . . 2.23 110.981 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.5 m -70.58 -35.23 72.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.97 110.642 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' A' ' 863' ' ' VAL . 27.3 mtmt -80.03 -30.64 39.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.15 -0.477 . . . . 3.88 111.439 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -154.39 136.17 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 1.86 110.353 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -78.06 97.37 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.119 0.485 . . . . 3.83 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.871 HG23 ' HB2' ' A' ' 828' ' ' LEU . 3.3 mp -75.91 132.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 107.445 -1.317 . . . . 1.62 107.445 165.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.41 -39.87 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.284 -0.567 . . . . 1.64 111.626 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 940' ' ' ALA . 7.8 mt -131.32 131.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.282 -0.266 . . . . 1.68 110.282 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.487 HG13 HD21 ' A' ' 828' ' ' LEU . 53.9 t -115.07 124.22 71.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.571 -0.286 . . . . 1.3 110.829 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -114.98 111.39 21.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.914 -0.402 . . . . 1.46 109.914 176.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.494 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -105.99 110.62 22.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.986 0.422 . . . . 1.37 110.629 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.721 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 52.0 t0 -94.94 125.75 39.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.689 . . . . 1.34 110.54 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.4 HG11 ' H ' ' A' ' 878' ' ' MET . 3.3 t -117.64 126.14 74.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.128 -0.487 . . . . 1.82 110.41 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.563 ' HB2' ' HE2' ' A' ' 925' ' ' LYS . 0.0 OUTLIER -90.74 -13.62 33.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 2.99 109.842 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.449 ' HG2' ' HB2' ' A' ' 881' ' ' MET . 2.0 tpt -112.99 95.47 34.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 4.08 111.656 -174.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.43 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 57.2 Cg_endo -72.35 -8.65 23.06 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.702 2.268 . . . . 4.07 111.966 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -85.11 1.81 46.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 5.43 110.405 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.525 ' HB3' ' H ' ' A' ' 882' ' ' ASP . 0.4 OUTLIER -128.49 -138.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 5.88 110.778 -177.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' A' ' 881' ' ' MET . 50.4 t0 -102.43 120.92 41.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 4.99 112.211 -173.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -135.24 7.23 4.36 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.629 -0.988 . . . . 3.04 110.629 170.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 1.031 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.8 p90 -128.05 -53.08 1.31 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.878 0.846 . . . . 3.02 111.518 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.626 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.29 -27.4 62.11 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.939 -1.028 . . . . 3.74 110.535 -168.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.531 ' N ' HD13 ' A' ' 886' ' ' LEU . 0.0 OUTLIER -65.16 -29.24 70.06 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.692 0.758 . . . . 2.82 109.871 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 1.048 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 87.4 m -85.35 -24.88 27.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.088 -0.96 . . . . 1.55 109.046 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.606 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 22.7 tt0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.915 -0.772 . . . . 2.4 108.915 170.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -30.78 63.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.153 -0.931 . . . . 2.86 110.209 173.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.953 HG13 HD22 ' A' ' 861' ' ' LEU . 1.0 OUTLIER -60.56 -46.97 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.35 -0.386 . . . . 2.15 110.938 176.292 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.8 OUTLIER -69.65 -30.67 68.41 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.699 -0.4 . . . . 2.75 110.395 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -39.63 87.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.246 0.546 . . . . 3.05 110.572 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -46.79 33.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 2.43 110.39 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 128.54 83.35 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.328 -0.709 . . . . 1.12 111.328 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 138.53 57.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.174 0.512 . . . . 3.34 111.381 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.29 33.77 1.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.723 -0.671 . . . . 2.85 109.767 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.556 HD21 HD23 ' A' ' 864' ' ' LEU . 0.7 OUTLIER -164.52 155.62 13.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 1.91 110.214 -175.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.01 131.59 13.31 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 123.058 2.505 . . . . 1.09 112.398 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.69 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.8 t -108.66 128.64 64.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.115 -0.493 . . . . 1.31 110.073 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 55.0 mt -117.41 112.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.835 -0.621 . . . . 1.28 109.766 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.3 115.65 4.97 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.65 -0.786 . . . . 0.51 112.573 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -85.58 125.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.023 -1.103 . . . . 1.64 108.023 173.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.42 ' OG1' ' HG2' ' A' ' 909' ' ' GLU . 4.1 p -137.91 148.6 45.47 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.442 -0.503 . . . . 1.35 111.938 -169.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.01 102.96 9.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.294 -0.412 . . . . 1.59 110.413 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 47.66 54.97 9.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.355 -0.839 . . . . 3.03 112.188 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.43 ' HA ' ' HB3' ' A' ' 879' ' ' PRO . . . -89.52 51.66 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.158 -0.474 . . . . 2.81 110.723 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.82 -102.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.461 -0.791 . . . . 4.33 110.303 -177.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 911' ' ' LYS . . . -120.7 92.19 3.71 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.21 -0.663 . . . . 2.52 109.21 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.42 ' HG2' ' OG1' ' A' ' 903' ' ' THR . 41.6 mp0 -60.44 -35.7 76.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.084 -0.507 . . . . 3.31 111.404 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -65.38 -27.88 68.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.99 0.424 . . . . 3.58 110.124 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.585 ' HB2' ' HB2' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -76.62 -36.02 57.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.953 -0.567 . . . . 2.7 110.59 -179.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 1.031 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -75.06 -29.78 60.83 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.689 -0.804 . . . . 3.07 109.562 176.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.49 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 9.3 ttp85 -62.55 -36.25 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.367 0.603 . . . . 4.72 109.888 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 96.9 m -74.2 -30.62 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 2.18 110.299 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.0 OUTLIER -70.76 -52.57 19.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 2.39 111.398 -178.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 1.048 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.41 -26.38 41.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.497 -0.32 . . . . 3.47 110.734 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.5 50.26 17.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.87 1.063 . . . . 1.35 113.87 173.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -148.36 -16.35 0.11 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.487 -1.34 . . . . 1.02 114.216 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.721 ' O ' ' HB2' ' A' ' 920' ' ' ASP . 4.9 mmt -62.82 -111.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.46 0.541 . . . . 2.46 112.46 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.721 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.1 t0 153.79 -58.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.439 1.096 . . . . 1.26 109.608 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.63 150.43 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 1.26 110.44 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.36 132.78 36.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.23 -0.441 . . . . 2.14 109.933 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 178.73 6.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 1.28 110.639 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 159.53 15.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.191 -0.459 . . . . 1.11 110.131 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.563 ' HE2' ' HB2' ' A' ' 877' ' ' ASN . 1.0 OUTLIER -59.33 -48.42 96.09 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.702 0.63 . . . . 1.69 112.702 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.4 Cg_exo -74.69 68.41 5.48 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.241 1.96 . . . . 1.33 112.684 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.69 HG13 HG12 ' A' ' 931' ' ' VAL . 0.0 OUTLIER -90.44 116.18 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.181 -0.463 . . . . 1.94 110.521 175.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 176.7 9.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.191 -0.459 . . . . 1.48 111.759 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.651 HD21 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -56.2 -46.96 79.23 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.271 -0.422 . . . . 1.47 111.458 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.59 -37.92 49.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.713 -0.395 . . . . 1.85 111.791 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . 0.69 HG12 HG13 ' A' ' 927' ' ' VAL . 71.4 t -62.2 -44.67 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.394 0.616 . . . . 1.51 109.754 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.619 HG21 HD22 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -61.74 -38.45 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.346 -0.843 . . . . 1.69 109.686 174.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -63.23 -48.72 77.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 2.36 112.027 -176.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -47.28 84.57 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.69 -0.404 . . . . 2.76 110.869 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 5.2 m -65.11 -44.31 89.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 1.23 111.518 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -64.15 -57.4 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 1.41 111.473 -178.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 937' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 941' ' ' GLU . 11.2 m -56.87 -46.01 82.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 1.41 111.389 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -53.01 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.472 -0.331 . . . . 1.99 111.369 -177.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -46.97 30.96 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.926 0.343 . . . . 1.99 111.926 -174.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 871' ' ' ILE . . . -62.52 -42.11 99.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.22 111.512 -176.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 937' ' ' THR . 0.0 OUTLIER -74.64 -29.96 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.785 -0.366 . . . . 1.87 110.263 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -47.56 80.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.701 -0.227 . . . . 3.6 110.422 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 1.7 m -69.48 -39.07 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.683 -0.407 . . . . 1.3 110.375 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -61.6 -48.58 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 4.16 110.961 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -18.38 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.756 -0.202 . . . . 3.22 111.519 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 70.4 m -69.61 -40.26 76.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 1.34 110.354 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -82.73 -27.04 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 4.07 110.243 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.1 t0 71.86 168.69 0.31 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.107 -0.951 . . . . 2.64 111.013 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.871 -0.585 . . . . 5.37 110.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 17.1 mttt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.906 -0.405 . . . . 7.3 109.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -95.27 119.56 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 5.65 111.035 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.26 109.52 21.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.151 -0.477 . . . . 5.7 109.831 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.47 121.12 31.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 4.93 110.576 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -153.72 -176.9 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 4.74 110.718 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . 0.461 ' HB3' ' H ' ' A' ' 823' ' ' ASP . 0.2 OUTLIER -178.93 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.394 -0.821 . . . . 5.4 109.325 176.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 850' ' ' GLN . 0.5 OUTLIER -156.02 -44.3 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.054 -0.975 . . . . 5.08 108.766 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 18.5 t70 75.28 -58.72 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.515 -1.22 . . . . 3.99 110.297 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.41 ' SD ' ' HB3' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -131.19 119.45 21.87 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.816 -0.629 . . . . 2.4 110.283 -179.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.469 ' HG3' ' HA ' ' A' ' 869' ' ' ILE . 11.0 ptp -111.9 122.07 46.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.526 0.679 . . . . 2.38 110.213 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.595 HG23 ' HB ' ' A' ' 871' ' ' ILE . 4.6 mm -107.86 138.76 32.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.903 -1.044 . . . . 1.17 109.506 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 830' ' ' VAL . 39.0 tp -95.14 108.79 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.077 0.465 . . . . 1.99 110.672 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.754 HG23 HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -98.63 95.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.505 -0.771 . . . . 1.67 110.009 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.852 HG13 ' HB1' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.16 142.13 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.472 -0.785 . . . . 1.56 109.886 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.63 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -150.77 151.98 33.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.28 -0.267 . . . . 1.3 110.28 176.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -17.44 20.6 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.864 0.364 . . . . 2.03 111.661 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.06 88.06 44.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 122.302 -0.249 . . . . 2.8 110.431 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -25.27 -45.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 1 C-N-CA 126.51 4.806 . . . . 1.39 117.538 -166.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -30.43 41.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.87 0.367 . . . . 2.71 111.585 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.34 -33.47 43.01 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 110.268 -0.271 . . . . 2.24 110.268 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.405 ' HG2' HG23 ' A' ' 853' ' ' THR . 10.1 ttp180 -57.43 -40.69 78.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.17 0.51 . . . . 3.21 110.37 171.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.553 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -58.79 -46.6 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 3.24 110.447 178.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.553 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -72.89 -37.34 67.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 1.72 111.164 -177.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 20.9 tp -65.81 -41.82 91.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.654 -0.703 . . . . 1.99 110.674 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.96 62.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.556 . . . . 1.25 110.732 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.22 -46.72 69.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.673 -0.491 . . . . 1.34 109.673 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.58 ' HG2' ' HA ' ' A' ' 929' ' ' LEU . 0.2 OUTLIER -60.02 -44.43 94.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 2.07 110.314 176.552 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -41.81 99.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 1.81 110.74 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -64.38 -29.74 75.91 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.56 112.278 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' SER . . . . . 0.418 ' HB2' HD23 ' A' ' 929' ' ' LEU . 16.4 m -70.08 -29.69 66.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 1.03 110.151 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.622 HD12 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -69.16 -28.99 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 2.14 110.129 175.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.99 0.67 61.8 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.797 -0.638 . . . . 0.62 112.662 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -93.76 165.15 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.762 0.315 . . . . 1.67 110.908 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.53 ' HB2' ' HB3' ' A' ' 823' ' ' ASP . 4.1 tp-100 -68.27 120.23 14.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.554 . . . . 2.92 110.171 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 109.84 21.91 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.237 -0.438 . . . . 1.39 110.523 -177.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -98.09 110.67 23.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.499 -0.556 . . . . 1.95 109.499 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.754 HG22 HG23 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -93.9 133.43 37.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 1.24 112.202 -173.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.852 ' HB1' HG13 ' A' ' 830' ' ' VAL . . . -139.1 179.1 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.42 -0.809 . . . . 1.15 109.077 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -140.53 75.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.047 -0.661 . . . . 2.4 112.388 -169.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 2.3 t70 164.22 -176.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.077 0.86 . . . . 1.45 109.946 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.718 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -97.28 -41.42 3.46 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.407 -1.077 . . . . 0.66 110.407 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.72 -30.98 30.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 1.55 110.244 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.679 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -60.5 -32.34 71.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.84 110.404 179.284 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.549 ' HB2' HG22 ' A' ' 830' ' ' VAL . . . -58.99 -40.74 85.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.555 -0.748 . . . . 1.2 110.869 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 890' ' ' ILE . 5.3 tp -75.04 -37.03 61.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.258 -0.428 . . . . 2.43 110.601 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.41 -48.2 76.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.163 0.506 . . . . 2.14 110.76 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 860' ' ' ALA . 4.3 p -63.92 -30.46 50.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.491 . . . . 1.53 110.243 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.8 OUTLIER -65.63 -32.79 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 2.23 110.489 173.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 3.1 m -75.46 -15.73 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 0.97 110.311 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -45.95 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 3.88 112.53 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.34 -176.89 3.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 1.86 111.52 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.49 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 3.83 111.428 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.469 ' HA ' ' HG3' ' A' ' 826' ' ' MET . 2.8 mp -79.17 149.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.195 -0.298 . . . . 1.62 110.195 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.79 -45.33 5.5 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.911 0.337 . . . . 1.64 111.911 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.595 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.1 mm -122.4 135.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.023 -0.362 . . . . 1.68 110.023 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.464 HG21 HD22 ' A' ' 828' ' ' LEU . 46.9 t -122.61 120.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 1.3 111.561 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -129.93 115.9 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 1.46 109.656 175.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 132.27 54.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.569 0.223 . . . . 1.37 110.63 -176.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.649 ' HA ' HG12 ' A' ' 902' ' ' VAL . 52.7 t0 -101.46 126.81 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.665 -0.698 . . . . 1.34 110.952 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 903' ' ' THR . 14.9 t -126.63 121.26 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.143 -0.48 . . . . 1.82 110.575 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.12 -38.98 7.9 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.817 -0.438 . . . . 2.99 109.817 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.746 ' HG2' ' HB2' ' A' ' 881' ' ' MET . 4.3 tpp -71.13 111.33 9.61 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.43 -0.804 . . . . 4.08 110.499 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.518 ' HB3' ' O ' ' A' ' 905' ' ' ASN . 11.7 Cg_endo -55.95 -54.24 4.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.719 2.946 . . . . 4.07 114.35 -171.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -101.63 16.1 26.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.666 0.27 . . . . 5.43 111.514 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.746 ' HB2' ' HG2' ' A' ' 878' ' ' MET . 1.6 tpt -100.75 82.46 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.666 -0.414 . . . . 5.88 110.889 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.597 ' O ' HD23 ' A' ' 886' ' ' LEU . 0.5 OUTLIER 64.43 17.78 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.276 -0.874 . . . . 4.99 112.394 174.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -72.01 59.43 1.41 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 121.423 -0.418 . . . . 3.04 112.526 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.832 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.2 p90 171.87 -65.6 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.655 1.182 . . . . 3.02 109.729 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.501 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.15 -25.86 65.83 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.048 -0.978 . . . . 3.74 111.731 -168.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.718 HD22 ' HA3' ' A' ' 857' ' ' GLY . 3.6 pp -65.64 -28.64 69.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.376 -0.972 . . . . 2.82 108.376 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.682 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 4.0 m -73.75 -36.09 65.1 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 113.987 -1.46 . . . . 1.55 109.227 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.4 tm0? -62.85 -48.48 78.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.333 -0.849 . . . . 2.4 110.257 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -59.85 -33.99 72.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.695 -0.684 . . . . 2.86 110.808 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' A' ' 861' ' ' LEU . 10.3 mt -61.19 -50.58 79.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 2.15 110.678 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.444 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -73.38 -23.39 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.069 0.462 . . . . 2.75 111.157 -178.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -48.54 38.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 3.05 110.431 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 39.5 tp -73.34 -66.36 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 2.43 110.626 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 163.34 99.6 0.14 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.409 -0.9 . . . . 1.12 112.329 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.532 HD21 ' H ' ' A' ' 895' ' ' LEU . 1.3 pt? -92.03 168.32 11.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.058 0.456 . . . . 3.34 110.595 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 20.8 m -157.73 -26.71 0.08 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 2.85 110.052 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.459 ' H ' HD22 ' A' ' 897' ' ' LEU . 0.6 OUTLIER -100.79 160.54 26.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.589 -0.732 . . . . 1.91 110.221 -174.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.99 118.04 5.45 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.305 2.003 . . . . 1.09 110.282 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.804 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.0 t -96.86 106.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.44 0.638 . . . . 1.31 110.478 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 923' ' ' LEU . 0.0 OUTLIER -96.37 107.65 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.568 -0.742 . . . . 1.28 109.767 176.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.78 96.8 2.19 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.501 -0.772 . . . . 0.51 112.273 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 1.068 HG21 ' HB2' ' A' ' 923' ' ' LEU . 0.4 OUTLIER -81.38 119.17 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 1.64 108.317 174.11 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.557 HG22 ' HB ' ' A' ' 876' ' ' VAL . 2.1 p -143.11 163.42 32.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.801 -0.562 . . . . 1.35 111.955 -169.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.57 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.92 -0.582 . . . . 1.59 110.747 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 879' ' ' PRO . 5.9 t-20 67.28 29.07 7.78 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.219 0.822 . . . . 3.03 113.219 169.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.587 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -93.86 -9.3 37.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.584 -0.446 . . . . 2.81 110.944 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 0.4 OUTLIER 77.32 -44.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.643 0.777 . . . . 4.33 112.187 173.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -140.75 56.81 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.969 0.414 . . . . 2.52 110.324 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.587 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 53.4 mp0 -55.42 -49.11 73.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.805 -0.634 . . . . 3.31 111.312 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -33.37 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.578 -0.737 . . . . 3.58 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.591 ' HE2' HD21 ' A' ' 915' ' ' LEU . 0.0 OUTLIER -71.0 -38.13 72.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.073 -0.512 . . . . 2.7 110.817 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.832 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.2 mp0 -74.42 -29.57 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.755 -0.778 . . . . 3.07 109.721 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.571 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 6.4 ttp85 -59.58 -41.53 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.031 -0.531 . . . . 4.72 109.901 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 63.8 m -73.1 -40.26 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 2.18 111.449 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.591 HD21 ' HE2' ' A' ' 911' ' ' LYS . 1.3 mm? -70.98 -51.5 25.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.881 0.372 . . . . 2.39 111.739 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.709 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 4.5 mm-40 -77.41 -24.04 50.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.971 0.415 . . . . 3.47 110.49 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.41 51.91 15.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.409 1.263 . . . . 1.35 114.409 167.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.623 ' H ' HG23 ' A' ' 887' ' ' THR . . . -141.22 25.67 2.49 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.267 -0.968 . . . . 1.02 112.073 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.804 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.8 ttt -108.12 -118.8 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.936 0.398 . . . . 2.46 111.5 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.0 t70 168.16 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.945 -1.025 . . . . 1.26 108.448 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.3 m -143.82 163.77 32.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.223 -0.899 . . . . 1.26 109.982 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.571 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 35.9 m -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.665 0.269 . . . . 2.14 110.498 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 1.068 ' HB2' HG21 ' A' ' 902' ' ' VAL . 0.7 OUTLIER -137.69 -176.22 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 1.28 110.023 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.28 137.98 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.678 -0.237 . . . . 1.11 110.532 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.617 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 18.1 tttp -39.73 -50.19 5.45 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 113.622 0.971 . . . . 1.69 113.622 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 15.7 Cg_exo -70.8 67.05 2.37 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.196 1.931 . . . . 1.33 113.078 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -87.94 126.42 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.552 -0.294 . . . . 1.94 110.65 175.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 175.87 7.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.508 -0.315 . . . . 1.48 111.053 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.7 OUTLIER -58.76 -45.85 88.81 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.121 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -44.68 87.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 1.85 110.793 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.6 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 1.51 110.924 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.606 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.3 tt -63.26 -34.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.485 -0.325 . . . . 1.69 110.614 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.42 ' HG2' HD23 ' A' ' 847' ' ' LEU . 0.0 OUTLIER -69.13 -31.83 70.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.783 -0.19 . . . . 2.36 110.879 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -61.39 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 2.76 110.061 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.48 93.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.581 . . . . 1.23 111.889 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.622 ' HG ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -58.34 -65.3 0.67 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.238 -0.437 . . . . 1.41 111.189 -178.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 1.6 m -64.02 -34.0 77.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.606 -0.725 . . . . 1.41 112.146 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -49.89 65.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.068 0.461 . . . . 1.99 110.98 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -74.03 -30.67 62.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 1.99 110.924 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.41 ' HB3' ' SD ' ' A' ' 825' ' ' MET . . . -59.27 -46.68 87.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 1.22 110.838 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -69.69 -31.02 68.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.415 -0.357 . . . . 1.87 110.375 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.747 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 2.2 mtt85 -66.35 -48.01 71.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 3.6 110.808 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 13.3 m -71.51 -30.26 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.732 0.301 . . . . 1.3 110.256 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -50.44 71.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 4.16 110.947 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.4 OUTLIER -70.22 -35.41 73.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.927 -0.309 . . . . 3.22 111.003 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.8 m -69.76 -20.89 63.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.846 0.355 . . . . 1.34 111.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -20.21 19.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.94 0.4 . . . . 4.07 110.437 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.9 -50.17 69.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.403 -0.817 . . . . 2.64 111.635 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.405 -0.807 . . . . 5.37 110.316 -179.425 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.806 -0.442 . . . . 7.3 109.806 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . 72.58 132.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.932 0.77 . . . . 5.65 111.164 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.04 129.66 57.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.068 -0.515 . . . . 5.7 110.608 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 1.6 m -123.42 71.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.181 0.515 . . . . 4.93 110.563 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.05 123.64 32.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 4.74 110.047 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -115.89 -46.03 2.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.296 -0.411 . . . . 5.4 110.414 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 4.3 t70 169.4 -44.64 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.408 -0.814 . . . . 5.08 109.848 -171.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 18.7 t70 76.61 -57.85 0.53 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.753 -1.112 . . . . 3.99 111.95 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.95 119.23 12.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.193 0.52 . . . . 2.4 111.513 -175.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -109.75 121.5 45.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 2.38 110.212 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.436 HG21 HD13 ' A' ' 827' ' ' ILE . 3.3 mm -114.52 141.12 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.979 -0.555 . . . . 1.17 109.716 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 872' ' ' VAL . 8.4 tp -104.81 112.45 25.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.975 0.416 . . . . 1.99 110.787 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.438 HG22 ' HB1' ' A' ' 841' ' ' ALA . 1.5 m -98.43 107.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.728 . . . . 1.67 110.321 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 27.1 t -105.19 142.72 17.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.621 -0.718 . . . . 1.56 109.825 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.548 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.57 139.88 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.102 0.251 . . . . 1.3 110.346 173.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -89.33 -6.9 56.31 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.485 0.55 . . . . 2.03 112.485 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -114.92 93.76 35.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 121.986 -0.446 . . . . 2.8 110.853 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -32.61 -50.73 0.37 Allowed 'Trans proline' 0 N--CA 1.482 0.805 0 C-N-CA 125.068 3.845 . . . . 1.39 116.241 -168.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.0 -40.01 74.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.377 0.608 . . . . 2.71 111.079 -178.093 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.494 ' CG ' ' HE3' ' A' ' 925' ' ' LYS . 12.0 m120 -73.23 -31.22 64.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.637 -0.711 . . . . 2.24 110.324 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.18 -51.03 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 3.21 110.718 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.01 -48.07 76.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 3.24 110.451 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.61 -30.83 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.72 111.739 -173.364 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.62 -44.26 67.6 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 1.99 109.976 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.438 ' HB1' HG22 ' A' ' 829' ' ' VAL . . . -67.33 -28.92 68.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 1.25 110.223 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.25 -53.44 52.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 1.34 109.818 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.593 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.77 -41.95 87.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.59 -0.732 . . . . 2.07 110.745 177.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.519 HD21 HD23 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -59.56 -42.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.736 -0.666 . . . . 1.81 110.473 178.044 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.12 -35.85 89.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.743 -0.662 . . . . 0.56 112.447 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.5 m -67.34 -28.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.67 0.271 . . . . 1.03 111.025 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' A' ' 936' ' ' LEU . 0.7 OUTLIER -65.83 -36.21 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 2.14 110.363 176.062 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.62 5.04 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.78 -0.724 . . . . 0.62 112.56 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -123.13 155.01 37.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.319 -0.252 . . . . 1.67 110.319 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.73 132.19 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.622 0.249 . . . . 2.92 110.593 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.0 100.3 9.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.173 -0.467 . . . . 1.39 111.11 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -89.29 120.89 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.074 -0.713 . . . . 1.95 109.074 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.66 144.14 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.5 0.555 . . . . 1.24 112.5 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.38 163.07 40.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.581 -0.736 . . . . 1.15 109.256 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 4.7 p30 -142.46 72.87 1.39 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.025 -0.67 . . . . 2.4 112.442 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.601 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 9.0 t0 163.92 156.17 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.102 -0.954 . . . . 1.45 109.626 172.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.443 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.42 -46.81 74.9 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.386 -0.912 . . . . 0.66 111.337 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.874 ' HA ' HD22 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -67.24 -30.76 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.626 0.25 . . . . 1.55 111.19 176.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -62.22 -35.97 80.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.979 0.418 . . . . 0.84 110.407 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.19 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.692 -0.685 . . . . 1.2 111.686 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' A' ' 858' ' ' VAL . 0.9 OUTLIER -74.68 -29.6 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 2.43 110.553 179.615 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . 0.452 ' O ' ' HE2' ' A' ' 866' ' ' LYS . 8.8 t-20 -60.92 -52.72 63.85 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.139 -0.482 . . . . 2.14 110.85 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.84 -30.95 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.443 . . . . 1.53 110.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -61.49 -35.28 77.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 2.23 111.0 176.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -29.8 66.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.151 0.5 . . . . 0.97 110.058 176.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . 0.452 ' HE2' ' O ' ' A' ' 862' ' ' ASN . 0.2 OUTLIER -72.27 -53.63 11.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 3.88 111.099 178.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -144.26 156.93 44.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.117 -0.492 . . . . 1.86 110.202 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 137.32 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.257 0.551 . . . . 3.83 111.308 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 870' ' ' ASP . 1.2 mp -124.72 146.4 30.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.37 -0.974 . . . . 1.62 108.37 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 869' ' ' ILE . 0.5 OUTLIER -67.72 -58.32 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 1.64 111.285 -176.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.37 137.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 1.68 109.902 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.603 HG22 HD23 ' A' ' 828' ' ' LEU . 11.3 t -111.79 123.19 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.696 0.284 . . . . 1.3 110.737 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -119.97 109.92 16.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.439 -0.578 . . . . 1.46 109.439 175.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.866 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -111.91 117.0 31.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.753 0.311 . . . . 1.37 110.987 -177.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 14.1 t0 -85.72 106.1 16.73 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.557 0.694 . . . . 1.34 110.481 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.13 77.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.642 -1.163 . . . . 1.82 109.428 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -83.65 9.53 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.578 0.704 . . . . 2.99 109.566 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 43.5 tpp -99.92 101.42 14.0 Favored Pre-proline 0 N--CA 1.443 -0.785 0 CA-C-N 114.565 -1.198 . . . . 4.08 109.938 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.513 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 70.3 Cg_endo -76.54 -4.86 15.51 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.535 2.157 . . . . 4.07 111.874 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.51 111.21 15.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.468 -0.787 . . . . 5.43 110.497 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 74.33 -90.32 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.455 -0.793 . . . . 5.88 112.532 173.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.86 69.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.478 0.547 . . . . 4.99 112.478 -167.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -98.8 -26.14 9.27 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 120.559 -0.829 . . . . 3.04 111.885 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.781 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 6.2 p90 -114.85 -40.59 3.5 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 122.239 1.019 . . . . 3.02 110.963 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.551 ' HD3' ' OE1' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.08 -26.63 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.111 -1.404 . . . . 3.74 110.994 -173.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.75 -31.2 71.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.006 -0.543 . . . . 2.82 109.927 -174.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.654 ' HA ' HD13 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -77.69 -27.58 50.77 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.735 -0.839 . . . . 1.55 108.735 177.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.711 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 4.5 tm0? -62.32 -45.06 94.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.324 0.583 . . . . 2.4 109.748 170.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.727 ' HB3' HD23 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -62.39 -28.84 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.603 -0.726 . . . . 2.86 110.609 177.133 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 887' ' ' THR . 97.3 mt -68.83 -39.88 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.44 -0.345 . . . . 2.15 110.455 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.45 60.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.937 0.398 . . . . 2.75 110.304 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -71.73 -41.29 68.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.287 0.565 . . . . 3.05 110.018 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -40.65 84.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.449 -0.796 . . . . 2.43 110.584 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.97 75.84 1.2 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.882 -0.675 . . . . 1.12 111.523 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.416 HD22 HG23 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -61.4 131.97 51.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 3.34 111.529 -177.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.31 12.79 27.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.321 0.581 . . . . 2.85 109.95 176.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.487 HD11 HG21 ' A' ' 872' ' ' VAL . 0.5 OUTLIER -156.4 155.12 28.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.331 -0.849 . . . . 1.91 109.7 -174.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.04 136.93 39.48 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 122.893 2.395 . . . . 1.09 112.786 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.837 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 20.7 t -112.44 125.23 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.865 -0.607 . . . . 1.31 110.624 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.595 HG22 ' HG ' ' A' ' 923' ' ' LEU . 0.3 OUTLIER -108.67 112.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.68 -0.489 . . . . 1.28 109.68 176.053 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.421 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -90.87 112.36 4.1 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.776 -0.726 . . . . 0.51 112.214 -177.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -84.44 109.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.997 -0.742 . . . . 1.64 108.997 178.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 66.8 p -116.23 164.14 14.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.12 0.486 . . . . 1.35 111.577 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.69 102.9 4.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.868 -0.605 . . . . 1.59 110.732 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.4 t30 47.22 60.82 3.21 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.948 0.78 . . . . 3.03 112.688 173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.513 ' HA ' ' HB3' ' A' ' 879' ' ' PRO . . . -97.73 45.31 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 2.81 110.057 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.3 mt 67.53 -77.54 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.21 -0.905 . . . . 4.33 111.325 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -142.01 52.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.226 0.536 . . . . 2.52 110.054 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 906' ' ' ALA . 14.3 pm0 -63.69 -27.5 69.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.668 -0.696 . . . . 3.31 112.013 -174.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 909' ' ' GLU . 4.3 tp10 -62.01 -46.16 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.481 . . . . 3.58 109.74 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -38.01 77.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.005 -0.543 . . . . 2.7 110.739 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.781 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -70.47 -31.18 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.519 -0.472 . . . . 3.07 110.317 -178.461 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.42 ' HG3' ' SD ' ' A' ' 919' ' ' MET . 3.3 tmm_? -62.24 -41.56 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.777 -0.453 . . . . 4.72 109.777 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 37.9 m -65.92 -31.56 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.798 -0.637 . . . . 2.18 110.51 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.28 -52.16 17.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.255 -0.43 . . . . 2.39 111.5 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.711 ' HB3' ' HB2' ' A' ' 888' ' ' GLN . 13.4 mm-40 -72.43 -24.58 61.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.364 -0.38 . . . . 3.47 111.524 -175.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 6.4 m 50.85 52.23 15.37 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.147 1.166 . . . . 1.35 114.147 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.628 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -140.32 25.93 2.59 Favored Glycine 0 C--N 1.319 -0.41 0 C-N-CA 120.359 -0.924 . . . . 1.02 112.769 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.837 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.4 ttm -117.0 -117.98 0.32 Allowed 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.717 -0.284 . . . . 2.46 111.096 -176.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.1 t70 171.7 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.544 -0.91 . . . . 1.26 108.544 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 14.6 m -145.07 163.39 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.091 -0.959 . . . . 1.26 110.173 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 145.47 43.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 2.14 110.285 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.595 ' HG ' HG22 ' A' ' 900' ' ' ILE . 71.5 mt -130.52 178.07 6.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.489 . . . . 1.28 109.976 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.33 136.4 53.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.489 -0.323 . . . . 1.11 110.263 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.494 ' HE3' ' CG ' ' A' ' 836' ' ' ASN . 15.5 tttp -46.21 -50.29 38.57 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 112.898 0.703 . . . . 1.69 112.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.64 63.6 3.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 121.891 1.727 . . . . 1.33 112.914 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.26 134.55 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.454 . . . . 1.94 110.397 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 171.36 8.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.464 . . . . 1.48 111.217 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.593 HD22 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -61.03 -47.51 86.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.29 -0.414 . . . . 1.47 111.401 -177.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.97 -34.72 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.672 -0.411 . . . . 1.85 110.652 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.85 -47.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 1.51 110.421 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 3.9 tt -64.96 -28.23 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-O 120.78 0.324 . . . . 1.69 110.572 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -48.36 73.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.36 111.119 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -63.27 -49.63 73.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 2.76 110.664 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.2 m -62.65 -44.5 96.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 1.23 111.63 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.719 HD21 ' HG ' ' A' ' 847' ' ' LEU . 9.4 tp -69.25 -38.53 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.671 -0.24 . . . . 1.41 111.365 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 94.7 m -66.82 -44.74 80.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.68 0.276 . . . . 1.41 110.774 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -45.27 90.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 1.99 110.523 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.53 -46.03 81.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.885 -0.598 . . . . 1.99 111.245 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.97 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 1.22 111.183 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.1 OUTLIER -64.82 -48.68 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 1.87 110.282 178.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 9.2 ptt85 -69.11 -34.02 74.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.068 -0.514 . . . . 3.6 111.766 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.402 HG21 ' N ' ' A' ' 944' ' ' ARG . 33.4 m -75.79 -32.5 24.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.932 0.396 . . . . 1.3 110.404 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.402 ' N ' HG21 ' A' ' 943' ' ' VAL . 0.5 OUTLIER -61.67 -50.33 72.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.097 -0.501 . . . . 4.16 109.948 178.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -77.26 -15.67 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 3.22 111.417 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 4.0 m -64.81 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.24 -0.184 . . . . 1.34 110.934 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.418 ' H ' ' HG3' ' A' ' 947' ' ' ARG . 0.0 OUTLIER -92.54 -42.09 9.89 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.588 -0.445 . . . . 4.07 110.949 178.352 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 945' ' ' LYS . 9.3 t0 -114.33 96.68 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.811 -0.44 . . . . 2.64 109.811 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.451 -0.785 . . . . 5.37 110.784 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.014 -0.365 . . . . 7.3 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -106.67 130.69 54.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.399 . . . . 5.65 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.51 86.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 5.7 110.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.93 51.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.463 0.542 . . . . 4.93 112.463 -175.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.52 117.31 33.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.962 -0.755 . . . . 4.74 108.962 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.8 -45.43 4.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.852 0.686 . . . . 5.4 112.852 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -162.61 -69.24 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.417 -0.513 . . . . 5.08 112.099 -167.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 15.4 t70 76.85 -55.78 0.56 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.37 1.044 . . . . 3.99 110.925 -173.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.2 ttt -144.5 137.73 27.1 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.091 0.472 . . . . 2.4 111.555 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.606 ' HG2' HG13 ' A' ' 869' ' ' ILE . 11.4 ttp -118.28 123.71 46.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.723 -0.671 . . . . 2.38 110.142 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.719 ' HB ' HD23 ' A' ' 844' ' ' LEU . 1.7 mm -118.08 146.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 1.17 110.727 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.466 HD13 HG11 ' A' ' 863' ' ' VAL . 0.6 OUTLIER -100.29 115.7 30.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 1.99 110.675 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 840' ' ' LEU . 2.2 m -102.18 106.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.492 0.663 . . . . 1.67 109.783 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.861 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 15.5 t -120.48 133.5 66.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.836 -0.62 . . . . 1.56 111.697 -173.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -151.77 131.45 13.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.472 -0.936 . . . . 1.3 108.472 167.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -36.51 69.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.098 0.475 . . . . 2.03 110.372 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.34 163.33 20.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 2.8 109.933 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.76 -20.71 7.61 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 121.822 1.681 . . . . 1.39 113.663 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.466 ' H ' HG22 ' A' ' 835' ' ' ILE . 0.1 OUTLIER -70.27 -49.13 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 112.231 0.456 . . . . 2.71 112.231 -172.462 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 840' ' ' LEU . 5.1 t30 -83.47 -21.88 32.74 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.626 -0.509 . . . . 2.24 109.626 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.462 ' HA ' HD21 ' A' ' 840' ' ' LEU . 18.5 ttm180 -63.73 -50.98 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.843 -0.617 . . . . 3.21 110.4 174.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -65.6 -33.86 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 3.24 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -51.49 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 1.72 111.229 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -68.92 -30.92 69.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 1.99 111.074 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.9 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.237 -0.283 . . . . 1.25 110.237 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -70.6 -37.09 73.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 1.34 109.857 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 929' ' ' LEU . 0.4 OUTLIER -59.55 -46.52 88.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.51 -0.768 . . . . 2.07 110.1 175.109 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 827' ' ' ILE . 22.4 tp -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.81 110.657 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.89 -33.34 86.79 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.374 -0.69 . . . . 0.56 111.374 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 2.0 m -70.1 -30.74 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.921 -0.399 . . . . 1.03 109.921 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.73 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -66.79 -35.15 79.41 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.991 -0.55 . . . . 2.14 110.011 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.89 24.71 40.56 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.715 -0.675 . . . . 0.62 112.07 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -108.32 170.47 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.254 . . . . 1.67 110.964 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 5.3 tp-100 -66.23 122.75 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 2.92 110.492 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.422 ' HA ' HD22 ' A' ' 844' ' ' LEU . 2.4 m -102.91 108.08 19.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.833 0.349 . . . . 1.39 111.065 -178.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.73 116.47 29.19 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.377 -0.601 . . . . 1.95 109.377 175.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 137.55 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.378 0.51 . . . . 1.24 112.378 -173.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 830' ' ' VAL . . . -150.49 166.66 29.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 1.15 109.057 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.2 p-10 -143.8 72.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.233 -0.587 . . . . 2.4 112.049 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.931 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 42.3 t0 163.45 156.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 114.762 -1.108 . . . . 1.45 109.022 173.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.431 ' HA3' HD12 ' A' ' 886' ' ' LEU . . . -68.5 -43.62 76.55 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.366 -0.921 . . . . 0.66 111.275 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.63 -28.98 25.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.765 0.317 . . . . 1.55 110.552 178.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.931 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.4 t0 -53.85 -39.71 65.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.928 0.394 . . . . 0.84 110.57 174.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -60.3 -34.72 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 1.2 111.015 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 858' ' ' VAL . 6.6 mp -66.98 -45.98 76.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 2.43 110.38 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.09 -46.51 83.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.634 -0.712 . . . . 2.14 110.035 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.466 HG11 HD13 ' A' ' 828' ' ' LEU . 2.2 t -62.33 -37.59 79.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.967 -1.015 . . . . 1.53 110.501 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -68.36 -36.31 79.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 2.23 111.157 178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 18.6 m -67.33 -27.84 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.97 111.118 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 0.2 OUTLIER -88.56 -54.0 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 3.88 110.876 177.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 1.86 110.268 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -88.82 129.74 35.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 3.83 110.541 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.606 HG13 ' HG2' ' A' ' 826' ' ' MET . 1.0 OUTLIER -121.64 144.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.33 -0.618 . . . . 1.62 109.33 -179.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.437 ' N ' HG23 ' A' ' 869' ' ' ILE . 14.1 m-20 -63.68 -60.07 3.79 Favored 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.295 0.372 . . . . 1.64 111.242 -176.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.409 ' O ' HG21 ' A' ' 827' ' ' ILE . 0.0 OUTLIER -133.46 140.35 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 1.68 110.288 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 897' ' ' LEU . 55.9 t -114.75 124.63 71.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 121.06 -0.256 . . . . 1.3 111.39 -176.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.694 HD11 HG23 ' A' ' 827' ' ' ILE . 0.0 OUTLIER -111.48 109.53 19.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.401 -0.592 . . . . 1.46 109.401 173.408 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.861 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -118.98 118.57 31.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.753 0.311 . . . . 1.37 111.364 -176.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.467 ' CG ' ' HZ2' ' A' ' 925' ' ' LYS . 49.6 t0 -93.09 118.64 31.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.944 -0.571 . . . . 1.34 110.421 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 886' ' ' LEU . 8.9 t -95.48 106.33 18.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.501 -0.772 . . . . 1.82 110.597 -179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -98.37 -8.61 26.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.827 -0.624 . . . . 2.99 109.623 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 8.4 tpt -132.02 101.09 15.33 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.476 -0.784 . . . . 4.08 110.782 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 881' ' ' MET . 15.7 Cg_exo -69.26 92.15 0.47 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.743 2.296 . . . . 4.07 111.516 176.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . 0.566 ' O ' ' HB2' ' A' ' 881' ' ' MET . 14.3 p30 -78.97 34.71 0.24 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.121 -0.49 . . . . 5.43 111.753 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.566 ' HB2' ' O ' ' A' ' 880' ' ' ASN . 0.0 OUTLIER 159.78 -64.99 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.741 1.216 . . . . 5.88 108.031 -178.092 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.518 ' HB3' ' HD1' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -168.98 175.41 5.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.138 -1.392 . . . . 4.99 107.695 175.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -78.44 55.99 4.09 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.698 -0.763 . . . . 3.04 112.63 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 1.055 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 5.2 p90 -161.87 -42.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 3.02 112.603 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.536 ' C ' ' HD2' ' A' ' 885' ' ' ARG . 0.6 OUTLIER -55.51 -29.62 59.19 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 113.255 0.835 . . . . 3.74 113.255 -156.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.431 HD12 ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -70.29 -33.32 71.41 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.884 1.326 . . . . 2.82 108.359 -169.053 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 1.013 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -75.82 -26.67 57.43 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.237 -1.801 . . . . 1.55 109.984 177.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.09 -35.53 80.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.515 -0.55 . . . . 2.4 109.515 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.49 99.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.659 -0.701 . . . . 2.86 109.716 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 887' ' ' THR . 97.3 mt -55.71 -47.37 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.211 -0.45 . . . . 2.15 110.656 173.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -59.53 -43.32 93.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 2.75 111.338 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.78 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 3.05 111.026 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.442 ' HB3' ' HG ' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -73.56 -37.07 65.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 2.43 110.15 176.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.12 27.65 15.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.957 -0.639 . . . . 1.12 112.663 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.442 ' HG ' ' HB3' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -83.52 115.69 22.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.691 0.281 . . . . 3.34 110.488 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -81.65 51.44 1.69 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.193 0.997 . . . . 2.85 110.534 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 872' ' ' VAL . 2.6 tp -96.99 130.49 29.83 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.33 -0.85 . . . . 1.91 110.426 -176.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.34 106.87 2.02 Favored 'Trans proline' 0 C--O 1.242 0.701 0 C-N-CA 122.748 2.299 . . . . 1.09 112.107 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.869 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.6 t -106.66 116.56 50.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.52 0.676 . . . . 1.31 111.442 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.494 HD13 HD23 ' A' ' 873' ' ' LEU . 53.6 mt -88.91 98.28 7.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.175 -0.921 . . . . 1.28 108.552 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.41 7.07 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.599 -0.81 . . . . 0.51 113.414 -171.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.48 HG12 ' HB2' ' A' ' 923' ' ' LEU . 0.1 OUTLIER -101.99 146.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.252 -1.018 . . . . 1.64 108.252 173.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 143.77 31.06 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.398 -0.521 . . . . 1.35 111.749 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -99.61 105.5 17.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.097 -0.501 . . . . 1.59 110.948 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 51.75 51.22 17.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.749 0.656 . . . . 3.03 112.133 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -97.64 97.54 9.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 2.81 109.663 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.38 144.91 44.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.43 -0.35 . . . . 4.33 111.249 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.64 32.23 16.39 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.746 -0.661 . . . . 2.52 111.793 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.49 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.4 OUTLIER -72.43 -18.1 61.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.123 -0.49 . . . . 3.31 111.342 -178.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -52.68 64.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 3.58 110.121 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -67.01 -37.48 84.26 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.01 -0.541 . . . . 2.7 110.625 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 1.055 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.6 mp0 -67.84 -29.33 68.44 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.239 -0.584 . . . . 3.07 109.981 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.477 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -65.41 -38.01 88.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 4.72 111.002 177.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.44 -32.94 73.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.638 -0.504 . . . . 2.18 109.638 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -48.26 53.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.708 -0.678 . . . . 2.39 112.15 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 1.013 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -75.7 -45.51 36.4 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 119.528 -0.869 . . . . 3.47 109.749 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.6 m 53.18 51.17 16.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.479 -0.782 . . . . 1.35 112.917 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.498 ' CA ' HG22 ' A' ' 887' ' ' THR . . . -136.4 -12.35 1.08 Allowed Glycine 0 C--N 1.32 -0.356 0 C-N-CA 119.817 -1.182 . . . . 1.02 113.181 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.869 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 mtt -83.34 -113.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.79 0.295 . . . . 2.46 110.93 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.66 ' HB2' ' O ' ' A' ' 919' ' ' MET . 3.6 t70 156.77 -57.65 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.629 1.171 . . . . 1.26 109.029 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.69 147.83 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.095 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 117.92 22.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 2.14 110.446 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -135.23 172.96 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 1.28 109.968 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.83 155.75 23.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.534 -0.303 . . . . 1.11 110.36 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.467 ' HZ2' ' CG ' ' A' ' 875' ' ' ASP . 1.5 tttp -44.84 -48.93 29.21 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.038 0.755 . . . . 1.69 113.038 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 34.9 Cg_endo -65.4 67.03 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.193 1.929 . . . . 1.33 112.856 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.26 164.46 2.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 1.94 110.348 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.8 169.44 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.635 -0.257 . . . . 1.48 110.523 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.529 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -61.33 -47.2 87.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.27 0.228 . . . . 1.47 111.423 -176.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -65.91 -42.21 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.039 0.447 . . . . 1.85 109.964 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.92 -47.45 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.713 -0.676 . . . . 1.51 111.0 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.8 OUTLIER -68.13 -31.86 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 1.69 110.772 -178.411 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 2.9 tmmt? -67.99 -36.29 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 2.36 110.212 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -61.53 -55.26 32.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 2.76 110.325 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.06 96.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.646 -0.252 . . . . 1.23 111.199 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.73 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.0 OUTLIER -55.06 -56.5 19.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.033 0.444 . . . . 1.41 110.895 178.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.5 m -70.05 -38.77 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.673 -0.694 . . . . 1.41 112.069 -174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -40.48 89.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 1.99 110.963 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.56 -25.79 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.547 -0.297 . . . . 1.99 110.353 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.06 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 1.22 110.339 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.9 -32.55 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 1.87 109.904 176.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.3 OUTLIER -68.99 -47.6 65.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.936 -0.575 . . . . 3.6 110.727 -178.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.564 ' O ' ' HG3' ' A' ' 947' ' ' ARG . 28.8 m -70.28 -30.1 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.91 -0.316 . . . . 1.3 110.262 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.28 -47.18 85.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 4.16 110.196 174.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 12.7 mttp -62.44 -33.69 75.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.232 0.539 . . . . 3.22 110.501 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.3 m -68.27 -34.19 75.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.803 -0.635 . . . . 1.34 110.989 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 943' ' ' VAL . 25.0 mtm180 -76.71 -56.24 4.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.013 0.435 . . . . 4.07 110.452 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.63 134.32 46.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 2.64 110.194 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.612 -0.709 . . . . 5.37 110.817 -176.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 109.899 -0.408 . . . . 7.3 109.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -94.83 135.07 36.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.72 0.295 . . . . 5.65 110.729 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 96.5 t -91.33 107.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.864 -0.421 . . . . 5.7 109.864 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.44 66.39 9.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.343 0.592 . . . . 4.93 111.23 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -111.35 164.21 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.037 -0.529 . . . . 4.74 109.674 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -147.98 -66.41 0.25 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.119 -0.491 . . . . 5.4 109.799 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.994 ' HB2' ' HG3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -173.55 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 5.08 110.207 -177.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.5 t70 75.83 -53.03 0.63 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.669 0.788 . . . . 3.99 112.398 170.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.418 ' HB2' ' HE2' ' A' ' 825' ' ' MET . 5.7 ttm -137.37 112.71 9.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.865 0.364 . . . . 2.4 111.063 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 1.3 ptp -95.94 109.6 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.637 -0.711 . . . . 2.38 110.438 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.2 mm -106.1 145.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.615 -0.72 . . . . 1.17 110.326 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.709 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.4 tp -100.99 107.49 18.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.89 0.376 . . . . 1.99 110.756 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.726 ' HB ' HD23 ' A' ' 840' ' ' LEU . 2.9 m -94.08 101.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.493 0.664 . . . . 1.67 109.756 177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.887 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.0 t -110.65 143.25 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.736 -0.666 . . . . 1.56 110.788 -176.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -153.06 147.09 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.827 -0.805 . . . . 1.3 108.827 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -20.9 66.57 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.443 0.465 . . . . 2.03 111.684 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.549 ' HB2' ' CD ' ' A' ' 834' ' ' PRO . 0.1 OUTLIER -131.54 -177.27 0.66 Allowed Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 109.763 -0.458 . . . . 2.8 109.763 175.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 4.6 Cg_exo -82.08 -28.44 2.0 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.064 1.843 . . . . 1.39 113.815 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.544 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.4 OUTLIER -62.94 -48.04 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 113.069 0.766 . . . . 2.71 113.069 -170.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.431 ' H ' HG23 ' A' ' 835' ' ' ILE . 28.9 t30 -83.01 -22.84 33.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.027 -0.669 . . . . 2.24 109.734 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.696 ' HG2' HG23 ' A' ' 853' ' ' THR . 0.0 OUTLIER -58.65 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.595 -0.73 . . . . 3.21 110.145 172.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -69.87 -29.75 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 3.24 110.935 -179.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -45.94 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 1.72 111.146 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.726 HD23 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -73.43 -32.26 64.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.685 0.279 . . . . 1.99 110.453 -178.776 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -27.09 63.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.148 0.499 . . . . 1.25 109.915 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 18.7 t0 -64.66 -46.33 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 1.34 109.843 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.589 ' HB3' HG23 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -62.86 -38.45 90.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.444 -0.798 . . . . 2.07 110.716 177.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 844' ' ' LEU . 8.4 tp -65.92 -31.38 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 1.81 110.374 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.33 -35.76 92.49 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.911 -0.586 . . . . 0.56 112.063 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -36.05 79.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 1.03 110.076 174.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 847' ' ' LEU . 1.1 mm? -64.87 -48.72 73.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 2.14 110.337 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.55 36.77 3.43 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.62 112.558 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -124.54 158.11 33.73 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.77 -0.253 . . . . 1.67 110.839 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.994 ' HG3' ' HB2' ' A' ' 823' ' ' ASP . 0.4 OUTLIER -70.5 125.42 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 2.92 110.941 -174.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.22 30.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.043 -0.526 . . . . 1.39 110.912 -177.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 118.62 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.403 -0.592 . . . . 1.95 109.403 174.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.696 HG23 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.83 112.92 24.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.057 0.456 . . . . 1.24 112.207 -171.138 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.444 ' O ' HG11 ' A' ' 830' ' ' VAL . . . -117.96 157.56 26.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 1.15 109.941 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.638 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.1 t-20 -131.43 71.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.48 -0.488 . . . . 2.4 112.062 -172.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.9 t70 160.04 162.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.557 1.143 . . . . 1.45 109.344 168.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.03 -40.34 83.9 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.673 -0.971 . . . . 0.66 110.673 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 20.4 m -74.01 -29.2 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 1.55 110.538 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.7 t0 -60.79 -31.29 70.67 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.84 110.862 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.24 85.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 1.2 110.295 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 890' ' ' ILE . 9.4 mp -71.14 -38.48 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 2.43 110.319 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -50.03 72.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.476 -0.784 . . . . 2.14 110.229 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -67.58 -35.83 74.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 1.53 110.562 -179.274 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -32.88 74.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.908 0.385 . . . . 2.23 110.731 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 71.5 m -68.36 -36.67 79.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.97 110.294 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -69.99 -46.44 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.88 110.811 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -144.91 135.7 24.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.231 -0.44 . . . . 1.86 110.341 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.95 97.27 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 3.83 111.118 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.8 OUTLIER -77.54 148.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 1.62 109.757 175.458 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.27 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 1.64 111.193 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 939' ' ' TYR . 4.3 mt -124.98 140.91 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.398 . . . . 1.68 110.383 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.932 HG22 HD12 ' A' ' 897' ' ' LEU . 77.9 t -113.99 131.61 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.564 0.221 . . . . 1.3 111.305 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -122.11 98.58 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.002 -0.74 . . . . 1.46 109.002 172.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.887 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -103.39 98.96 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.336 -0.393 . . . . 1.37 111.595 -176.045 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.727 ' HA ' HG23 ' A' ' 902' ' ' VAL . 44.9 t0 -71.39 117.03 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 1.34 110.374 170.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 119.42 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.193 0.52 . . . . 1.82 110.892 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -86.44 58.34 5.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.914 0.864 . . . . 2.99 108.781 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 2.2 tpp -146.87 85.26 7.12 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.81 -1.086 . . . . 4.08 109.853 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -90.99 -70.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.242 2.628 . . . . 4.07 112.112 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . 0.555 ' O ' ' HB3' ' A' ' 881' ' ' MET . 3.9 t30 -73.95 130.71 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 5.43 110.107 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.555 ' HB3' ' O ' ' A' ' 880' ' ' ASN . 1.3 ttt 86.09 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.472 1.107 . . . . 5.88 111.089 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.71 16.91 10.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.844 -1.071 . . . . 4.99 112.529 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.668 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -72.22 108.77 2.59 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.958 -0.857 . . . . 3.04 110.958 176.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.772 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.6 p90 126.73 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.006 1.722 . . . . 3.02 109.127 -169.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.429 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.96 -24.61 66.22 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.671 -1.15 . . . . 3.74 112.738 -161.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -69.97 -37.17 75.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.009 0.909 . . . . 2.82 108.68 -171.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.532 ' HB ' ' CG ' ' A' ' 916' ' ' GLU . 21.5 m -71.85 -27.43 62.88 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.407 -1.269 . . . . 1.55 110.521 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 1.9 tt0 -58.1 -39.25 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.527 0.68 . . . . 2.4 109.774 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.494 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.27 -36.51 84.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.23 -0.895 . . . . 2.86 110.317 174.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.527 HG12 HD11 ' A' ' 861' ' ' LEU . 71.5 mt -57.26 -50.53 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.52 -0.309 . . . . 2.15 111.389 177.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -71.02 -28.1 64.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.714 0.292 . . . . 2.75 111.223 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.432 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -74.0 -27.82 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.039 0.447 . . . . 3.05 110.514 178.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 53.2 tp -78.31 -21.99 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.941 -0.572 . . . . 2.43 109.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 77.76 58.67 3.2 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.009 -0.615 . . . . 1.12 112.589 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.496 HD12 HG21 ' A' ' 890' ' ' ILE . 11.7 mt -96.5 147.3 23.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.074 -0.343 . . . . 3.34 110.074 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 2.6 t -111.84 10.2 20.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.379 0.609 . . . . 2.85 110.833 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 872' ' ' VAL . 0.0 OUTLIER -89.0 152.14 47.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.824 -0.625 . . . . 1.91 110.424 -177.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 6.8 Cg_exo -74.64 118.87 5.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 123.018 2.479 . . . . 1.09 111.934 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.8 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 2.9 t -109.77 129.99 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 121.72 0.771 . . . . 1.31 111.365 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.757 HD11 HD22 ' A' ' 873' ' ' LEU . 0.4 OUTLIER -114.46 134.05 58.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.395 -0.821 . . . . 1.28 108.983 173.362 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -123.86 101.41 0.68 Allowed Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.677 -0.969 . . . . 0.51 110.677 -171.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.727 HG23 ' HA ' ' A' ' 875' ' ' ASP . 0.4 OUTLIER -87.15 131.49 34.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.763 -0.829 . . . . 1.64 108.763 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 2.6 p -132.43 167.58 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.697 0.284 . . . . 1.35 111.033 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . 0.433 ' HB1' ' HB2' ' A' ' 925' ' ' LYS . . . -128.9 123.18 31.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.59 111.356 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 36.0 t30 57.53 40.71 26.78 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.797 -0.638 . . . . 3.03 111.356 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -94.13 -33.74 13.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.179 -0.464 . . . . 2.81 110.271 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.46 -62.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.388 -0.824 . . . . 4.33 111.285 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 911' ' ' LYS . . . -90.77 55.78 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.45 0.643 . . . . 2.52 110.44 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.8 -35.94 79.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.596 -0.729 . . . . 3.31 110.562 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -26.27 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.482 -0.562 . . . . 3.58 109.482 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -70.18 -32.17 69.98 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.78 -0.646 . . . . 2.7 110.473 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.772 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -67.19 -42.77 83.63 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 119.141 -1.024 . . . . 3.07 108.879 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -52.65 -36.86 57.56 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.368 0.418 . . . . 4.72 111.17 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 69.4 m -76.06 -34.76 59.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.728 0.299 . . . . 2.18 111.182 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 1.2 tp -71.35 -52.94 15.95 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.136 0.421 . . . . 2.39 112.136 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.08 -43.34 24.34 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.6 0.238 . . . . 3.47 110.634 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 14.5 m 53.24 51.54 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.963 0.727 . . . . 1.35 112.963 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -141.83 11.43 2.63 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.051 -1.071 . . . . 1.02 112.3 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.8 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.1 OUTLIER -99.76 -104.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.607 0.241 . . . . 2.46 110.962 -175.188 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 919' ' ' MET . 41.1 t0 162.03 -55.11 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.634 1.174 . . . . 1.26 108.218 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 2.6 m -141.87 152.56 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.627 -0.715 . . . . 1.26 110.781 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 142.89 47.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.348 -0.387 . . . . 2.14 110.489 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 902' ' ' VAL . 1.7 mt -125.38 -175.41 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.357 . . . . 1.28 110.069 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 2.3 m -108.23 152.25 24.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.945 -0.571 . . . . 1.11 109.482 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.698 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 15.8 tttp -43.79 -60.96 2.21 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 113.778 1.029 . . . . 1.69 113.778 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 1.8 Cg_endo -83.23 70.78 6.45 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.942 1.761 . . . . 1.33 112.845 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.519 HG11 ' HB ' ' A' ' 931' ' ' VAL . 2.1 t -68.73 110.58 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 1.94 110.34 172.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.67 178.72 7.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.606 -0.27 . . . . 1.48 111.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -42.72 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 1.47 111.562 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . 0.443 ' OD1' HG23 ' A' ' 931' ' ' VAL . 0.3 OUTLIER -62.38 -56.05 22.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.585 -0.28 . . . . 1.85 110.861 -177.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . 0.519 ' HB ' HG11 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -61.54 -36.44 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.669 -0.241 . . . . 1.51 111.316 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.589 HG23 ' HB3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -64.41 -39.57 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.619 0.247 . . . . 1.69 110.409 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.434 ' HG2' HD23 ' A' ' 847' ' ' LEU . 0.0 OUTLIER -68.96 -39.18 79.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.277 -0.268 . . . . 2.36 110.277 177.104 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -58.88 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 2.76 110.615 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -69.39 -41.99 75.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.801 -0.636 . . . . 1.23 111.693 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -63.7 -47.14 82.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.436 0.16 . . . . 1.41 110.967 -178.241 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.6 m -65.79 -43.56 88.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.534 -0.303 . . . . 1.41 111.223 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.3 86.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 1.99 111.132 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.405 ' HB3' HD11 ' A' ' 871' ' ' ILE . 4.0 m-85 -77.67 -34.64 52.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.5 -0.318 . . . . 1.99 111.212 -178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 936' ' ' LEU . . . -61.56 -46.76 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 1.22 110.671 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.8 OUTLIER -68.36 -33.21 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.339 -0.391 . . . . 1.87 110.308 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -65.06 -48.68 72.94 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.448 -0.342 . . . . 3.6 110.868 -179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 20.1 m -67.61 -30.53 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.731 -0.388 . . . . 1.3 110.664 -176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -67.77 -50.85 54.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.395 . . . . 4.16 110.965 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.01 -25.19 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.868 0.322 . . . . 3.22 111.868 -175.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 7.8 m -82.9 -17.88 42.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 1.34 110.403 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 14.2 mtt85 -84.21 -58.25 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 4.07 110.102 175.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -173.22 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.074 0.464 . . . . 2.64 111.577 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.414 -0.803 . . . . 5.37 111.594 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.883 0.373 . . . . 7.3 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -157.31 175.75 13.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 5.65 110.254 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.73 118.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.395 -0.366 . . . . 5.7 110.278 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.52 118.42 19.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.091 -0.504 . . . . 4.93 111.51 -177.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 130.2 37.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 4.74 110.088 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -79.25 -73.88 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.481 0.658 . . . . 5.4 109.944 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 5.6 t70 179.76 -129.47 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.603 -1.258 . . . . 5.08 107.603 -174.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 5.4 t70 174.45 52.56 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 O-C-N 123.929 0.768 . . . . 3.99 109.194 173.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -76.37 91.59 3.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.846 -0.615 . . . . 2.4 110.242 -178.458 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.469 ' HB3' ' HE2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -92.85 111.79 23.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.891 -0.595 . . . . 2.38 109.815 178.064 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 827' ' ' ILE . 0.1 OUTLIER -108.5 140.45 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.235 -179.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.643 HD23 HG13 ' A' ' 863' ' ' VAL . 3.0 mt -94.21 103.75 15.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 1.99 109.869 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.74 ' HB ' ' CD1' ' A' ' 840' ' ' LEU . 2.4 m -97.93 94.79 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.385 -0.825 . . . . 1.67 109.635 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 6.0 t -103.06 143.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.401 -0.818 . . . . 1.56 110.094 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.755 ' HB3' ' HG3' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -158.9 143.87 16.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.611 -0.514 . . . . 1.3 109.611 175.138 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . 0.531 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -90.24 -21.18 22.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.033 0.383 . . . . 2.03 112.033 -176.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.34 92.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 2.8 109.795 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 837' ' ' ARG . 96.2 Cg_exo -44.23 -22.61 0.56 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 125.001 3.8 . . . . 1.39 116.16 -165.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -56.69 -37.63 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.269 0.557 . . . . 2.71 110.211 176.139 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.99 -36.26 30.94 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.731 -0.388 . . . . 2.24 110.044 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.755 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 2.3 ttp180 -54.21 -44.17 71.4 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.369 0.418 . . . . 3.21 111.375 176.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.23 -33.36 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 3.24 110.456 178.293 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.67 -50.35 69.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.217 -0.447 . . . . 1.72 111.046 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.74 ' CD1' ' HB ' ' A' ' 829' ' ' VAL . 1.5 pp -69.23 -26.96 65.06 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 110.378 -0.231 . . . . 1.99 110.378 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.15 87.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.602 0.715 . . . . 1.25 109.399 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.09 -49.14 20.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.857 -1.065 . . . . 1.34 110.947 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -52.34 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 2.07 111.682 -176.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.569 HD21 HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -61.78 -38.62 88.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.025 0.44 . . . . 1.81 110.251 176.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -59.41 -34.81 82.53 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.743 -0.662 . . . . 0.56 112.72 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 34.4 m -70.94 -25.82 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.962 0.411 . . . . 1.03 110.507 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.569 HD12 HD21 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -72.06 -17.87 61.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 2.14 110.421 176.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.0 9.6 80.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.849 -0.614 . . . . 0.62 112.656 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.38 160.41 14.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.814 0.34 . . . . 1.67 111.194 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 30.6 mt-30 -74.02 110.15 8.09 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.126 -0.488 . . . . 2.92 110.222 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 109.59 20.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.498 -0.319 . . . . 1.39 110.596 -179.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' A' ' 826' ' ' MET . 2.5 mptt -101.38 109.49 21.33 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.673 -0.862 . . . . 1.95 108.673 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.61 133.76 34.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.132 0.491 . . . . 1.24 111.764 -171.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.596 ' HB1' HG11 ' A' ' 830' ' ' VAL . . . -139.51 172.45 12.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.605 -0.725 . . . . 1.15 109.763 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.659 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 38.0 t30 -149.33 74.5 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.001 -0.28 . . . . 2.4 111.207 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 0.7 OUTLIER 161.38 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.275 0.984 . . . . 1.45 109.471 169.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -71.78 -40.15 58.64 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.302 -0.951 . . . . 0.66 111.06 172.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.466 ' HA ' HD22 ' A' ' 861' ' ' LEU . 27.0 m -73.93 -29.33 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.709 0.29 . . . . 1.55 110.742 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.557 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 36.9 t0 -56.27 -36.44 68.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.305 -0.407 . . . . 0.84 110.26 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.32 90.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.645 -0.707 . . . . 1.2 110.892 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.934 HD11 HG13 ' A' ' 890' ' ' ILE . 1.7 mm? -59.61 -46.15 89.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.335 0.588 . . . . 2.43 110.358 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 -52.14 65.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.998 -1.001 . . . . 2.14 111.315 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.643 HG13 HD23 ' A' ' 828' ' ' LEU . 7.7 p -69.7 -32.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.601 -0.272 . . . . 1.53 111.433 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.4 HD22 ' HB ' ' A' ' 869' ' ' ILE . 5.3 mt -65.8 -32.07 73.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.002 0.429 . . . . 2.23 110.976 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.0 m -80.17 -27.54 38.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 0.97 110.756 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -55.8 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 3.88 111.185 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -122.27 159.35 27.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.713 -0.477 . . . . 1.86 109.713 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -87.9 132.86 34.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.478 -0.489 . . . . 3.83 111.017 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.44 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.7 mp -132.26 142.26 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.184 -0.916 . . . . 1.62 109.423 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -82.66 -52.04 7.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.008 0.373 . . . . 1.64 112.008 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 142.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 1.68 110.594 -178.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.571 HG22 HD12 ' A' ' 828' ' ' LEU . 77.9 t -119.5 132.18 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.8 -0.36 . . . . 1.3 111.101 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 900' ' ' ILE . 0.3 OUTLIER -129.15 120.25 25.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.87 -0.419 . . . . 1.46 109.87 173.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.598 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.4 p -109.48 109.75 20.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.469 -0.332 . . . . 1.37 110.814 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.764 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -86.24 110.2 19.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.81 -0.632 . . . . 1.34 109.95 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.615 HG11 ' HD2' ' A' ' 879' ' ' PRO . 1.0 OUTLIER -123.99 124.52 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.949 -0.569 . . . . 1.82 110.845 -174.419 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.68 ' HB3' ' HE3' ' A' ' 925' ' ' LYS . 0.0 OUTLIER -127.45 -34.35 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 2.99 111.1 175.754 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.802 ' HB3' ' HD3' ' A' ' 879' ' ' PRO . 1.8 ttm -56.85 -54.85 49.81 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 121.087 -0.245 . . . . 4.08 111.124 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.802 ' HD3' ' HB3' ' A' ' 878' ' ' MET . 3.3 Cg_exo -81.57 55.86 5.72 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.456 2.104 . . . . 4.07 112.008 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -82.06 -28.15 32.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 5.43 111.018 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.21 5.28 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.93 0.872 . . . . 5.88 109.097 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -117.43 -111.58 0.35 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.096 -1.411 . . . . 4.99 107.404 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.538 ' HA2' HD21 ' A' ' 886' ' ' LEU . . . 75.02 -149.12 38.93 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.598 -0.811 . . . . 3.04 112.823 172.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.873 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 10.5 p90 46.68 -70.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.505 1.522 . . . . 3.02 113.586 -172.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.495 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.73 -26.85 47.46 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.329 -0.851 . . . . 3.74 112.919 -164.134 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.538 HD21 ' HA2' ' A' ' 883' ' ' GLY . 0.5 OUTLIER -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.318 1.056 . . . . 2.82 109.177 -172.286 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.973 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 90.8 m -77.65 -26.82 50.74 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.423 -1.262 . . . . 1.55 108.922 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.856 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 1.4 tm0? -59.12 -40.48 85.53 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.127 -0.694 . . . . 2.4 109.127 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.78 91.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.711 -0.677 . . . . 2.86 110.918 174.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.934 HG13 HD11 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -62.07 -32.33 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.16 0.505 . . . . 2.15 110.711 176.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -75.06 -32.01 61.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.052 -0.522 . . . . 2.75 110.733 178.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 888' ' ' GLN . 20.2 mm100 -67.35 -27.93 67.54 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.126 0.489 . . . . 3.05 110.185 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -48.94 62.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 2.43 109.543 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.03 60.33 0.97 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.872 -0.68 . . . . 1.12 112.034 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.667 HD11 ' HG ' ' A' ' 897' ' ' LEU . 1.3 pt? -89.67 147.88 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.129 0.49 . . . . 3.34 111.027 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -34.55 18.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.647 -0.706 . . . . 2.85 111.761 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.667 ' HG ' HD11 ' A' ' 895' ' ' LEU . 0.8 OUTLIER -77.52 157.21 80.34 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.609 -0.723 . . . . 1.91 111.837 -171.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 148.38 23.51 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 123.287 2.658 . . . . 1.09 113.367 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.866 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 80.4 t -119.59 128.58 75.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.285 -0.871 . . . . 1.31 110.648 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 873' ' ' LEU . 0.8 OUTLIER -100.41 105.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.622 -0.717 . . . . 1.28 109.717 176.839 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.599 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -88.36 101.04 2.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.898 -0.668 . . . . 0.51 112.454 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.764 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.1 t -76.38 122.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.737 -0.838 . . . . 1.64 108.737 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 35.7 p -128.47 153.47 47.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.788 0.328 . . . . 1.35 111.491 -171.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.99 110.27 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.355 -0.384 . . . . 1.59 111.643 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.81 56.36 1.13 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.495 0.554 . . . . 3.03 112.495 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.712 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -108.02 -28.19 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.853 0.358 . . . . 2.81 110.583 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.9 mt 64.03 18.76 11.41 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.563 -0.744 . . . . 4.33 111.443 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.05 29.11 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 2.52 109.274 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.712 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 51.0 mp0 -60.06 -53.06 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.888 . . . . 3.31 111.23 -175.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -63.59 -35.66 81.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 3.58 110.41 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.7 110.97 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.873 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 2.2 mt-30 -70.33 -39.44 74.74 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.056 -0.72 . . . . 3.07 109.056 176.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.46 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -62.13 -26.94 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 4.72 110.535 178.019 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 40.0 m -74.97 -43.6 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 2.18 110.373 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -52.8 22.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.869 -0.605 . . . . 2.39 111.598 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.973 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.26 -38.34 35.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 3.47 110.817 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.3 m 52.27 52.59 13.96 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.002 1.112 . . . . 1.35 114.002 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.02 1.83 8.42 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 119.636 -1.269 . . . . 1.02 111.957 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.866 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 4.7 mtm -92.04 -124.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 2.46 111.833 -173.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.505 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.7 t70 171.0 -55.22 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.804 -1.089 . . . . 1.26 108.179 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 157.56 44.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.372 -0.831 . . . . 1.26 109.787 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 81.6 m -121.43 146.35 46.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.74 0.305 . . . . 2.14 110.513 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 76.9 mt -131.0 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.28 110.442 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.86 144.54 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.89 -0.411 . . . . 1.11 109.89 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.68 ' HE3' ' HB3' ' A' ' 877' ' ' ASN . 2.4 ttmm -50.22 -42.23 71.26 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 113.546 0.943 . . . . 1.69 113.546 -176.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.5 Cg_endo -65.88 61.18 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.028 1.819 . . . . 1.33 113.476 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 925' ' ' LYS . 0.1 OUTLIER -85.96 79.5 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 1.94 110.617 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.47 174.04 7.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.993 -0.549 . . . . 1.48 110.53 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 929' ' ' LEU . 0.5 OUTLIER -53.01 -38.57 62.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.684 0.278 . . . . 1.47 111.426 -177.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 9.8 t70 -63.29 -56.74 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.068 0.461 . . . . 1.85 110.368 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 29.2 t -66.0 -42.76 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.428 -0.806 . . . . 1.51 111.391 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.2 tt -64.54 -31.07 52.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.69 111.021 -177.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.519 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -75.04 -32.57 61.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.12 -0.232 . . . . 2.36 110.731 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 66.3 mt-30 -55.59 -55.71 28.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.421 0.629 . . . . 2.76 109.916 174.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 935' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -69.83 -41.43 74.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.33 -0.85 . . . . 1.23 111.88 -177.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.83 -0.168 . . . . 1.41 111.303 -177.435 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 70.6 m -62.64 -44.46 96.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.581 0.229 . . . . 1.41 111.316 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 938' ' ' LEU . 0.3 OUTLIER -65.63 -40.72 92.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.053 0.454 . . . . 1.99 110.936 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.3 OUTLIER -71.28 -41.81 69.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.183 -0.462 . . . . 1.99 111.514 -177.021 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -61.32 -40.58 94.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 1.22 110.814 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.21 -38.73 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 1.87 110.192 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -63.13 -48.07 80.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 3.6 110.818 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.27 -30.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.566 -0.288 . . . . 1.3 110.294 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -57.5 -45.06 85.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.058 0.456 . . . . 4.16 109.932 175.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -70.47 -44.06 68.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.619 -0.719 . . . . 3.22 110.807 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -60.07 -39.78 87.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.024 0.44 . . . . 1.34 111.47 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -59.44 2.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.407 . . . . 4.07 110.966 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 38.0 t70 63.11 -85.0 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.87 0.731 . . . . 2.64 109.086 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.779 -0.822 . . . . 5.37 108.779 174.19 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.951 0.405 . . . . 7.3 110.753 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -92.0 46.56 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.141 0.496 . . . . 5.65 110.784 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.68 117.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 5.7 109.462 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.67 163.02 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.166 -0.47 . . . . 4.93 111.278 -173.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.05 172.75 8.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.756 -0.656 . . . . 4.74 110.01 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -163.5 111.79 1.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.892 0.377 . . . . 5.4 111.847 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -79.84 71.39 6.51 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.714 -0.847 . . . . 5.08 108.714 169.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.86 62.95 4.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.248 -0.887 . . . . 3.99 110.915 -174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 26.5 mtp -104.47 121.79 44.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.312 -0.858 . . . . 2.4 110.943 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.9 ptp -109.81 133.17 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.282 -0.872 . . . . 2.38 110.292 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 1.052 ' HB ' HD23 ' A' ' 844' ' ' LEU . 3.9 mm -121.2 143.42 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.323 0.583 . . . . 1.17 110.531 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.648 HD11 HG12 ' A' ' 863' ' ' VAL . 0.1 OUTLIER -94.76 118.04 31.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.592 -0.731 . . . . 1.99 110.484 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.69 HG12 HD21 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -106.62 98.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.29 0.567 . . . . 1.67 109.787 177.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.624 HG22 ' HB1' ' A' ' 854' ' ' ALA . 19.7 t -109.36 137.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.718 -0.674 . . . . 1.56 110.474 -177.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.505 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 6.5 t0 -144.68 130.93 19.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.106 -0.702 . . . . 1.3 109.106 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.01 -13.19 61.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.044 0.449 . . . . 2.03 111.13 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.539 ' HB3' ' CD ' ' A' ' 834' ' ' PRO . 47.3 m170 -116.34 -176.08 0.35 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.387 -0.598 . . . . 2.8 109.387 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.539 ' CD ' ' HB3' ' A' ' 833' ' ' HIS . 84.8 Cg_endo -94.69 -32.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.643 1.562 . . . . 1.39 114.646 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 1.4 pt -69.22 -42.59 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.272 0.471 . . . . 2.71 112.272 -171.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.525 ' ND2' ' HZ2' ' A' ' 925' ' ' LYS . 0.5 OUTLIER -78.01 -22.7 48.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.779 -0.452 . . . . 2.24 109.779 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.426 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 8.2 ttm180 -63.14 -52.58 61.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.266 -0.425 . . . . 3.21 110.545 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.1 OUTLIER -66.28 -30.22 70.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.522 -0.308 . . . . 3.24 110.85 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.84 53.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 1.72 111.015 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.749 HD11 HD11 ' A' ' 932' ' ' ILE . 15.1 tp -66.92 -46.37 75.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.847 -0.615 . . . . 1.99 110.922 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.66 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 1.25 110.733 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 5.4 t0 -66.25 -46.68 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.34 110.04 176.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.806 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.7 OUTLIER -57.96 -48.36 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.575 -0.739 . . . . 2.07 110.522 177.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 1.052 HD23 ' HB ' ' A' ' 827' ' ' ILE . 13.7 tp -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.805 -0.634 . . . . 1.81 111.155 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -69.12 -21.76 75.73 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.816 -0.707 . . . . 0.56 112.127 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 49.5 m -82.97 -19.5 36.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.423 0.154 . . . . 1.03 111.354 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.2 pp -96.49 -10.71 26.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.432 -0.507 . . . . 2.14 110.623 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.72 28.8 13.11 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.782 -0.723 . . . . 0.62 114.198 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.414 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 1.1 m-30 -111.63 155.87 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.613 0.707 . . . . 1.67 110.914 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 850' ' ' GLN . 2.4 mp0 -65.79 112.3 3.66 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.99 -0.55 . . . . 2.92 111.013 -175.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.735 ' HA ' HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.46 105.47 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.206 -0.452 . . . . 1.39 111.648 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.4 115.07 27.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.569 -0.53 . . . . 1.95 109.569 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.426 HG21 HG21 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -91.99 136.99 32.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.646 0.61 . . . . 1.24 112.646 -172.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.624 ' HB1' HG22 ' A' ' 830' ' ' VAL . . . -150.8 165.25 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.707 -0.849 . . . . 1.15 108.707 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.6 p-10 -136.1 72.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.031 -0.668 . . . . 2.4 112.2 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.764 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 34.1 t0 162.83 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.008 -0.997 . . . . 1.45 109.385 171.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.976 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.03 -43.36 93.63 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.357 -0.925 . . . . 0.66 111.288 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -74.3 -28.74 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.91 -0.171 . . . . 1.55 110.641 177.644 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.764 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 24.6 t0 -56.1 -40.81 74.23 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.7 -0.482 . . . . 0.84 109.7 172.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 864' ' ' LEU . . . -56.98 -47.33 81.04 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.684 -0.689 . . . . 1.2 110.274 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.458 HD23 HG12 ' A' ' 890' ' ' ILE . 3.5 mm? -56.47 -39.37 73.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.072 -0.513 . . . . 2.43 111.047 178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -63.6 -50.23 70.24 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.949 -0.569 . . . . 2.14 110.661 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.648 HG12 HD11 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -34.23 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.818 -0.628 . . . . 1.53 110.721 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 860' ' ' ALA . 75.3 mt -69.07 -32.05 71.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.988 0.423 . . . . 2.23 110.753 177.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 47.5 m -64.55 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.97 110.249 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -83.49 -59.48 2.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 3.88 110.269 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . 0.497 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 36.9 t30 -125.47 138.41 53.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.817 -0.629 . . . . 1.86 109.899 -174.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -57.5 -53.75 54.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 3.83 112.349 -174.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.541 HG21 ' N ' ' A' ' 870' ' ' ASP . 8.2 mm 66.36 149.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 123.316 0.385 . . . . 1.62 110.329 -173.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.541 ' N ' HG21 ' A' ' 869' ' ' ILE . 0.2 OUTLIER -92.04 -64.77 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.785 -0.572 . . . . 1.64 111.302 -176.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.597 ' HB ' HG22 ' A' ' 827' ' ' ILE . 9.1 mm -110.99 136.73 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.245 -0.434 . . . . 1.68 110.015 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.428 HG21 ' CD1' ' A' ' 897' ' ' LEU . 63.5 t -118.83 127.53 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.957 -0.297 . . . . 1.3 111.211 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -119.55 102.3 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.749 -0.463 . . . . 1.46 109.749 174.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.571 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -99.65 106.63 18.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.223 -0.444 . . . . 1.37 110.782 -178.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.732 ' HA ' HG12 ' A' ' 902' ' ' VAL . 45.0 t0 -84.48 132.52 34.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.746 . . . . 1.34 111.418 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.33 128.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 1.82 110.395 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.538 ' HA ' ' HB1' ' A' ' 904' ' ' ALA . 0.1 OUTLIER -93.33 -6.99 46.11 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.547 0.689 . . . . 2.99 109.423 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 5.9 tpt -131.47 63.97 71.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 115.202 -0.908 . . . . 4.08 111.551 -171.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 906' ' ' ALA . 58.1 Cg_endo -72.72 -22.74 20.17 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.223 1.949 . . . . 4.07 111.546 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -64.11 -33.12 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.44 -0.8 . . . . 5.43 110.16 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 25.3 ttp -85.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.522 -0.763 . . . . 5.88 109.445 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -167.9 98.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.186 0.517 . . . . 4.99 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -124.67 9.01 8.18 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.372 -1.091 . . . . 3.04 110.372 172.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.743 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 4.6 p90 -119.75 -50.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.847 -0.677 . . . . 3.02 111.381 -174.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -58.2 -27.83 64.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.65 0.738 . . . . 3.74 111.39 -165.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.976 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -72.6 -28.63 62.9 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.219 -0.9 . . . . 2.82 109.475 -174.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.869 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 22.4 m -76.33 -27.45 56.51 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 114.642 -1.163 . . . . 1.55 108.798 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.761 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 31.7 tt0 -63.16 -37.36 86.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.497 -0.774 . . . . 2.4 109.252 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -39.83 93.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.578 -0.737 . . . . 2.86 110.256 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.485 HG22 ' HB3' ' A' ' 895' ' ' LEU . 0.4 OUTLIER -60.69 -38.53 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.868 0.365 . . . . 2.15 110.781 176.523 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.79 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -74.81 -30.63 61.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 2.75 110.766 -179.041 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.73 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 3.05 110.928 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -30.04 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 2.43 110.643 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.92 71.56 0.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.003 -0.839 . . . . 1.12 111.003 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 891' ' ' ARG . 1.2 pt? -66.67 126.63 29.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.439 0.638 . . . . 3.34 111.881 -173.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 47.77 1.44 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.404 -0.816 . . . . 2.85 109.444 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.428 ' CD1' HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -168.91 143.22 2.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.135 -0.938 . . . . 1.91 109.758 -173.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 7.3 Cg_exo -73.41 124.27 9.28 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.699 2.266 . . . . 1.09 111.612 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.877 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 16.1 t -99.87 109.77 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.609 0.719 . . . . 1.31 110.635 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 923' ' ' LEU . 0.7 OUTLIER -94.19 108.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.626 -0.716 . . . . 1.28 109.485 176.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.564 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -91.96 101.85 2.85 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 111.177 -0.769 . . . . 0.51 111.177 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.946 HG21 ' HB2' ' A' ' 923' ' ' LEU . 3.7 p -99.06 129.1 49.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.804 -0.813 . . . . 1.64 108.804 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.3 p -143.59 162.85 34.81 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.362 -0.535 . . . . 1.35 112.186 -168.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 877' ' ' ASN . . . -87.44 128.77 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.618 -0.719 . . . . 1.59 109.182 171.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -58.87 111.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.569 0.543 . . . . 3.03 111.526 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 879' ' ' PRO . . . -120.91 -7.06 9.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 2.81 110.444 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 67.74 30.31 6.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.443 -0.799 . . . . 4.33 111.849 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -135.86 -12.56 1.97 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.825 0.822 . . . . 2.52 110.067 175.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -69.5 -19.97 63.72 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.034 -0.985 . . . . 3.31 111.901 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -66.43 -50.89 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.118 -0.327 . . . . 3.58 110.118 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -30.7 69.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.486 . . . . 2.7 110.733 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -72.49 -36.55 68.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.4 -0.52 . . . . 3.07 110.566 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.636 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 4.3 ttm180 -68.05 -27.96 66.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.494 . . . . 4.72 110.163 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.75 -33.42 70.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 2.18 110.028 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.96 -53.23 13.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.971 -0.559 . . . . 2.39 112.021 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.869 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -78.64 -43.69 25.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.686 -0.405 . . . . 3.47 111.002 -176.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.9 m 45.51 52.2 9.3 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.979 1.103 . . . . 1.35 113.979 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.14 -0.32 8.15 Favored Glycine 0 C--N 1.316 -0.531 0 C-N-CA 119.728 -1.225 . . . . 1.02 112.353 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.877 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 7.0 mtt -75.21 -112.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.288 0.477 . . . . 2.46 112.288 -172.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.5 t70 163.27 -51.91 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 114.875 -1.057 . . . . 1.26 108.399 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.78 166.56 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.48 -0.782 . . . . 1.26 110.325 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.17 129.51 33.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.527 -0.306 . . . . 2.14 110.294 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.946 ' HB2' HG21 ' A' ' 902' ' ' VAL . 0.5 OUTLIER -126.95 -174.49 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.162 -0.472 . . . . 1.28 110.193 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 1.6 m -117.96 138.18 52.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.353 -0.385 . . . . 1.11 110.152 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.525 ' HZ2' ' ND2' ' A' ' 836' ' ' ASN . 2.1 ttmm -30.03 -54.34 0.34 Allowed Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 114.773 1.397 . . . . 1.69 114.773 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 53.2 Cg_endo -70.45 69.0 2.06 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.678 1.585 . . . . 1.33 113.56 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.424 HG13 HG12 ' A' ' 931' ' ' VAL . 0.2 OUTLIER -80.81 102.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 1.94 110.299 174.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.41 -179.66 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 1.48 111.415 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.806 HD22 ' HG3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -59.11 -47.03 86.77 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.241 0.46 . . . . 1.47 112.241 -173.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -37.63 54.84 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.872 -0.331 . . . . 1.85 110.82 -175.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 927' ' ' VAL . 88.8 t -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.51 110.449 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.749 HD11 HD11 ' A' ' 840' ' ' LEU . 2.3 tt -68.6 -28.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.69 110.508 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.472 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -70.47 -48.2 56.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.605 -0.27 . . . . 2.36 111.437 -177.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.29 87.98 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.487 -0.485 . . . . 2.76 110.444 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -48.5 72.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.612 0.244 . . . . 1.23 111.009 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 940' ' ' ALA . 0.2 OUTLIER -59.54 -49.64 76.98 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.181 -0.463 . . . . 1.41 110.461 179.181 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 68.6 m -63.01 -44.18 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 1.41 111.564 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.85 80.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 1.99 110.951 -178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.82 -26.5 59.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 1.99 111.346 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 936' ' ' LEU . . . -62.67 -51.26 67.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.084 -0.339 . . . . 1.22 110.084 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 1.87 110.223 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -47.77 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.489 -0.323 . . . . 3.6 111.003 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.29 -30.18 38.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 121.017 -0.273 . . . . 1.3 110.928 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -67.8 -37.2 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.516 -0.55 . . . . 4.16 109.516 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 9.6 mtmt -65.1 -44.87 87.38 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.526 . . . . 3.22 110.365 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 8.5 m -63.03 -27.75 69.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.076 0.465 . . . . 1.34 111.023 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.05 -61.75 1.87 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 4.07 111.592 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -82.63 -14.66 54.34 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.902 -0.319 . . . . 2.64 111.352 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.962 -0.542 . . . . 5.37 111.376 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.163 -0.31 . . . . 7.3 110.163 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -143.89 121.57 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.89 0.376 . . . . 5.65 111.019 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 819' ' ' VAL . 2.3 t -72.64 127.26 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.995 -0.548 . . . . 5.7 109.791 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.74 90.42 2.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.75 0.31 . . . . 4.93 111.198 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.73 -178.51 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 4.74 110.385 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -149.58 -60.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.342 0.591 . . . . 5.4 109.797 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.474 ' HB3' ' H ' ' A' ' 824' ' ' ASP . 6.0 t70 -169.03 -104.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.717 -1.128 . . . . 5.08 108.98 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.645 ' HB3' ' HE1' ' A' ' 849' ' ' TYR . 13.0 t0 167.47 -50.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.11 0.881 . . . . 3.99 109.877 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.65 141.33 33.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 2.4 111.459 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.0 mtt -102.47 117.68 35.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 2.38 110.318 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -108.88 133.66 53.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.891 -0.595 . . . . 1.17 110.198 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.948 ' HB2' HG22 ' A' ' 869' ' ' ILE . 55.1 tp -99.43 115.57 29.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.998 -0.546 . . . . 1.99 110.47 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.841 ' HB ' HD23 ' A' ' 840' ' ' LEU . 3.6 m -101.7 95.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.433 0.635 . . . . 1.67 109.953 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.597 HG12 ' HB1' ' A' ' 854' ' ' ALA . 0.2 OUTLIER -106.56 81.84 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.897 -0.592 . . . . 1.56 111.91 -172.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 23.1 t0 -113.37 128.21 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.732 -0.387 . . . . 1.3 110.022 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 28.8 t70 -65.34 -35.25 80.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 2.03 111.835 -178.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -92.28 122.13 65.28 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 2.8 110.735 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.95 -53.12 7.09 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.714 2.943 . . . . 1.39 114.478 -174.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -29.73 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.012 0.434 . . . . 2.71 111.114 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.455 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 11.9 m120 -79.4 -32.76 43.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.653 -0.499 . . . . 2.24 109.653 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -61.29 -53.17 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 3.21 110.54 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.0 OUTLIER -64.5 -27.77 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 3.24 110.611 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.432 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 4.9 mt -70.55 -52.07 24.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 1.72 111.003 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.841 HD23 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -66.75 -31.23 71.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 1.99 110.494 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.22 60.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.153 -0.476 . . . . 1.25 110.63 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 4.1 t70 -71.85 -44.31 64.04 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.398 -0.593 . . . . 1.34 109.398 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.745 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -61.62 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.366 -0.834 . . . . 2.07 109.988 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.65 90.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.65 -0.704 . . . . 1.81 110.363 176.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.39 77.38 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.554 -0.748 . . . . 0.56 112.431 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.3 m -68.3 -28.35 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.999 0.428 . . . . 1.03 109.946 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.407 HD23 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -72.32 -44.91 61.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 2.14 110.161 174.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.21 21.57 22.27 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.699 -0.762 . . . . 0.62 112.352 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.645 ' HE1' ' HB3' ' A' ' 824' ' ' ASP . 1.2 m-85 -98.58 169.15 9.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.708 0.29 . . . . 1.67 110.979 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -66.95 123.46 20.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 2.92 110.126 178.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 123.54 45.45 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.521 -0.309 . . . . 1.39 110.64 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 124.67 51.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.417 -0.586 . . . . 1.95 109.417 175.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.43 141.9 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 1.24 112.088 -173.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 830' ' ' VAL . . . -158.24 178.12 10.53 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.767 -0.827 . . . . 1.15 108.767 176.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.8 OUTLIER -159.46 74.25 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.16 -0.616 . . . . 2.4 112.337 -176.108 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 21.8 t70 164.98 152.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.887 0.742 . . . . 1.45 110.187 174.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.611 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -63.79 -47.95 81.39 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.015 -0.612 . . . . 0.66 112.438 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 2.3 m -74.24 -30.39 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 120.76 0.314 . . . . 1.55 110.576 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 31.7 t0 -64.22 -32.35 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.049 0.452 . . . . 0.84 110.107 176.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.436 ' O ' HG13 ' A' ' 863' ' ' VAL . . . -62.25 -47.04 86.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 1.2 111.357 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.621 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.8 OUTLIER -74.2 -28.24 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.662 0.267 . . . . 2.43 110.551 178.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.4 -55.31 32.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.873 -0.603 . . . . 2.14 110.298 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 860' ' ' ALA . 14.8 p -66.12 -30.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 1.53 110.115 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 872' ' ' VAL . 1.2 mt -61.13 -32.59 72.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 2.23 111.089 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 37.5 m -82.88 -19.53 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.331 -0.395 . . . . 0.97 110.996 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 4.93 31.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.308 . . . . 3.88 111.82 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -168.69 140.37 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.144 -0.317 . . . . 1.86 110.144 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -74.88 106.5 6.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.291 . . . . 3.83 110.922 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.948 HG22 ' HB2' ' A' ' 828' ' ' LEU . 2.2 mt -113.1 141.87 27.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.269 -0.641 . . . . 1.62 109.269 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.32 -54.22 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.95 0.405 . . . . 1.64 111.169 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 871' ' ' ILE . 18.2 mm -105.7 121.5 58.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 1.68 110.043 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 864' ' ' LEU . 62.6 t -113.94 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.646 -0.421 . . . . 1.3 111.259 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.45 108.07 13.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 1.46 110.203 177.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.17 108.19 20.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.303 0.573 . . . . 1.37 110.528 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.568 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 3.8 t0 -90.36 106.53 18.55 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.386 -0.825 . . . . 1.34 110.278 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 876' ' ' VAL . 0.0 OUTLIER -101.7 91.18 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.242 -0.89 . . . . 1.82 111.294 -173.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -94.77 22.19 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.613 0.72 . . . . 2.99 109.409 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -126.22 107.89 24.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.072 -0.967 . . . . 4.08 109.652 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -90.78 48.52 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.829 2.353 . . . . 4.07 113.186 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.87 30.25 7.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.449 . . . . 5.43 111.175 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.57 ' HE1' HD22 ' A' ' 886' ' ' LEU . 0.0 OUTLIER -161.25 146.07 13.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.382 -0.599 . . . . 5.88 109.382 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.55 ' HB3' ' CD1' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -55.18 129.53 38.57 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.923 -0.769 . . . . 4.99 108.923 173.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -72.03 63.58 1.29 Allowed Glycine 0 C--O 1.228 -0.278 0 O-C-N 123.377 0.423 . . . . 3.04 113.363 -171.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 1.045 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 3.0 p90 -167.48 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.695 0.759 . . . . 3.02 111.465 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.505 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.44 -25.38 59.55 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.437 -0.801 . . . . 3.74 112.276 -161.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.611 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.6 OUTLIER -65.6 -36.5 83.92 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.993 0.901 . . . . 2.82 108.609 -171.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.571 HG23 HG23 ' A' ' 890' ' ' ILE . 6.8 m -78.52 -28.53 46.22 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.216 -1.357 . . . . 1.55 110.358 177.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.453 ' HG2' ' HD3' ' A' ' 885' ' ' ARG . 2.1 tp60 -60.93 -40.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.181 0.515 . . . . 2.4 109.645 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -35.45 73.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.043 -0.526 . . . . 2.86 110.677 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.621 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -65.51 -31.73 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.146 0.498 . . . . 2.15 110.499 175.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -40.3 73.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 2.75 110.111 177.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 3.05 110.649 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -36.01 74.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.846 -0.615 . . . . 2.43 110.903 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 109.81 81.54 1.26 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.921 -0.657 . . . . 1.12 111.736 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 918' ' ' GLY . 0.5 OUTLIER -84.65 148.3 26.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.539 . . . . 3.34 111.423 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.54 39.32 0.88 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 2.85 109.337 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.538 HD12 HG23 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -150.65 162.23 27.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.553 -0.749 . . . . 1.91 110.317 -173.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.94 118.04 5.39 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.6 2.2 . . . . 1.09 112.67 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.844 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 35.9 t -104.9 118.76 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.428 0.632 . . . . 1.31 110.299 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 1.5 mp -111.34 111.08 34.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.619 -0.719 . . . . 1.28 110.064 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.44 113.34 4.54 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.563 -0.827 . . . . 0.51 112.019 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -87.03 98.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.03 -0.73 . . . . 1.64 109.03 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 126.24 52.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.738 -0.665 . . . . 1.35 112.032 -171.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 905' ' ' ASN . . . -78.12 134.68 37.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 1.59 109.202 171.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 904' ' ' ALA . 48.6 t30 76.13 -50.77 0.61 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.195 0.598 . . . . 3.03 111.174 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 65.45 -89.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.116 0.567 . . . . 2.81 111.127 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.02 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.751 0.657 . . . . 4.33 111.869 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.32 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.885 0.474 . . . . 2.52 111.143 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.41 ' HB3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER 35.98 -111.47 0.07 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.518 1.136 . . . . 3.31 113.82 168.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 5.2 mt-10 -60.88 -34.12 74.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.37 -0.832 . . . . 3.58 112.064 -172.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.605 ' HE2' HD13 ' A' ' 915' ' ' LEU . 0.1 OUTLIER -68.63 -46.74 68.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.606 -0.438 . . . . 2.7 110.7 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 1.045 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.69 -29.17 58.92 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.002 -1.079 . . . . 3.07 109.879 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.49 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 10.1 ttm180 -62.01 -35.14 77.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.034 0.445 . . . . 4.72 110.323 174.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 -26.55 61.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.76 -0.459 . . . . 2.18 109.76 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.605 HD13 ' HE2' ' A' ' 911' ' ' LYS . 0.3 OUTLIER -69.34 -51.45 36.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.687 -0.688 . . . . 2.39 111.313 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.88 -36.45 59.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.982 0.42 . . . . 3.47 110.5 178.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.73 49.37 20.47 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.401 0.889 . . . . 1.35 113.401 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.513 ' O ' HD12 ' A' ' 895' ' ' LEU . . . -147.92 6.8 1.02 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 119.56 -1.305 . . . . 1.02 113.613 175.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.844 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.6 OUTLIER -82.39 -117.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.844 0.355 . . . . 2.46 111.778 -173.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 919' ' ' MET . 15.1 t0 167.13 -57.21 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.409 -0.96 . . . . 1.26 108.409 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 900' ' ' ILE . 45.4 m -150.24 134.4 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.726 -0.67 . . . . 1.26 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.14 138.22 47.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 2.14 109.947 175.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -175.13 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.41 -0.359 . . . . 1.28 110.218 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.24 151.77 20.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.995 -0.548 . . . . 1.11 109.942 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.559 ' HZ1' ' CG ' ' A' ' 875' ' ' ASP . 2.5 tptp -51.87 -48.55 87.53 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.997 0.74 . . . . 1.69 112.997 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.0 Cg_endo -72.02 63.02 3.31 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.037 1.824 . . . . 1.33 113.533 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.86 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 1.94 110.009 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.7 171.94 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 1.48 111.293 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.9 OUTLIER -56.91 -34.74 68.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.997 -0.547 . . . . 1.47 110.724 177.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -50.6 61.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.85 110.305 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.89 -46.76 93.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 1.51 110.757 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.745 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.3 OUTLIER -65.05 -27.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.184 -0.462 . . . . 1.69 111.434 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -48.64 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.207 -0.197 . . . . 2.36 111.236 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.84 -35.29 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 2.76 110.49 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 96.2 m -65.32 -46.67 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.691 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -62.29 -45.29 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 1.41 110.81 178.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 8.0 m -62.63 -42.39 99.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 1.41 111.27 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -42.55 96.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.716 0.293 . . . . 1.99 111.367 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.697 -0.229 . . . . 1.99 111.295 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.53 89.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.325 0.583 . . . . 1.22 109.576 173.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.65 78.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.407 -0.815 . . . . 1.87 109.899 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.563 ' HG3' ' N ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -63.5 -46.84 84.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 3.6 110.752 -177.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.563 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 2.8 m -70.66 -31.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.618 -0.433 . . . . 1.3 110.546 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 4.16 110.293 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -74.92 -40.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 3.22 111.234 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 24.3 m -69.39 -26.37 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 1.34 111.173 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.35 -45.46 12.75 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.866 0.365 . . . . 4.07 110.158 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 5.5 t0 70.44 -7.72 0.98 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.279 -0.873 . . . . 2.64 112.358 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.82 -0.61 . . . . 5.37 109.724 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.766 -0.457 . . . . 7.3 109.766 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -133.51 113.17 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.29 -0.263 . . . . 5.65 110.29 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.34 106.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.415 0.626 . . . . 5.7 110.784 -178.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.16 39.05 1.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 4.93 110.812 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.84 105.21 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.857 -0.61 . . . . 4.74 109.726 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -68.8 0.48 Allowed 'General case' 0 CA--C 1.502 -0.865 0 CA-C-O 121.277 0.561 . . . . 5.4 110.726 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -169.95 -86.15 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.091 -0.959 . . . . 5.08 109.437 -174.371 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 1.0 OUTLIER 166.02 -96.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.868 0.73 . . . . 3.99 110.007 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.45 ' H ' ' HB3' ' A' ' 824' ' ' ASP . 0.0 OUTLIER -149.55 139.42 21.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.353 -0.981 . . . . 2.4 108.353 177.398 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.539 ' HB2' ' HE1' ' A' ' 826' ' ' MET . 1.0 OUTLIER -95.74 118.91 33.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.145 0.498 . . . . 2.38 111.258 -175.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -111.44 135.87 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 1.17 110.218 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.709 HD12 HG23 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -93.78 103.67 15.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.052 -0.522 . . . . 1.99 110.051 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.513 HG12 ' HG ' ' A' ' 844' ' ' LEU . 4.8 m -92.43 94.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.775 0.798 . . . . 1.67 109.753 176.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.706 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 2.3 t -105.76 141.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.302 -0.863 . . . . 1.56 109.362 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 5.9 t70 -147.82 138.31 23.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.891 0.377 . . . . 1.3 110.236 172.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . 0.638 ' CB ' ' HA ' ' A' ' 876' ' ' VAL . 36.4 t0 -86.85 55.5 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.406 -0.815 . . . . 2.03 109.335 175.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.461 ' HD2' ' SD ' ' A' ' 878' ' ' MET . 0.0 OUTLIER -175.49 162.9 2.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.128 -1.064 . . . . 2.8 108.128 -178.373 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -89.24 -41.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.475 1.45 . . . . 1.39 113.452 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.514 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.0 -44.54 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.646 -0.252 . . . . 2.71 111.583 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -25.64 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.024 -0.362 . . . . 2.24 110.024 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 831' ' ' ASP . 0.0 OUTLIER -60.17 -50.52 73.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 3.21 110.584 175.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.96 -30.03 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 3.24 110.88 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -45.18 48.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 1.72 110.987 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.444 HD23 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -71.11 -30.06 66.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.274 -0.421 . . . . 1.99 110.365 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.65 67.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 1.25 110.243 173.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.84 -46.69 74.3 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.583 -0.525 . . . . 1.34 109.583 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.621 ' HG2' ' HA ' ' A' ' 929' ' ' LEU . 0.5 OUTLIER -58.52 -43.93 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 2.07 110.322 176.103 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.606 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -62.41 -40.72 97.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.787 -0.642 . . . . 1.81 110.856 177.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.01 -27.46 72.29 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.84 -0.618 . . . . 0.56 111.961 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.6 m -72.6 -27.95 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 1.03 110.059 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.813 HD13 ' HG ' ' A' ' 936' ' ' LEU . 2.6 mt -77.11 -22.11 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 2.14 110.371 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 76.88 25.92 63.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.956 -0.64 . . . . 0.62 112.407 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -104.28 166.25 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.714 0.292 . . . . 1.67 111.002 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.91 116.68 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 2.92 110.613 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.8 m -96.51 116.25 28.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 1.39 111.043 -176.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.33 111.66 23.72 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.208 -0.664 . . . . 1.95 109.208 174.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.43 133.34 35.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.02 0.438 . . . . 1.24 111.892 -172.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 830' ' ' VAL . . . -144.99 165.42 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 1.15 109.825 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.639 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.9 t-20 -141.44 72.88 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 2.4 110.423 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 3.5 t70 160.61 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.588 1.155 . . . . 1.45 109.681 170.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.516 ' HA3' HD11 ' A' ' 886' ' ' LEU . . . -73.34 -40.88 47.55 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.967 -0.853 . . . . 0.66 110.967 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.97 -28.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.18 0.514 . . . . 1.55 110.05 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.692 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 3.1 t0 -56.68 -40.25 75.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.84 110.215 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.569 ' HA ' HG13 ' A' ' 863' ' ' VAL . . . -66.6 -33.53 75.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 1.2 110.982 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.445 HD12 HG12 ' A' ' 890' ' ' ILE . 2.4 mp -62.74 -44.94 94.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.171 0.51 . . . . 2.43 110.639 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -67.34 -47.78 69.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 2.14 111.039 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 860' ' ' ALA . 5.0 p -64.01 -31.19 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.322 -0.399 . . . . 1.53 110.689 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.756 ' HA ' HD11 ' A' ' 869' ' ' ILE . 0.3 OUTLIER -65.51 -32.78 74.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.235 0.541 . . . . 2.23 110.535 174.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 10.3 m -83.17 -12.29 57.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 0.97 111.078 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -43.58 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.861 0.319 . . . . 3.88 111.861 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -138.22 147.95 44.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.563 -0.29 . . . . 1.86 110.454 -174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -77.19 103.44 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 3.83 111.212 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.756 HD11 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -97.72 138.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.604 -0.888 . . . . 1.62 108.604 169.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -89.64 -33.66 16.57 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.588 0.218 . . . . 1.64 111.588 -170.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.0 134.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.781 -0.452 . . . . 1.68 109.781 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.859 HG21 HD12 ' A' ' 897' ' ' LEU . 50.3 t -114.63 130.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.547 -0.461 . . . . 1.3 111.206 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -134.32 119.71 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.78 -0.452 . . . . 1.46 109.78 174.079 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.706 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 1.37 111.6 -175.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 4.8 t0 -76.28 156.21 33.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.721 . . . . 1.34 109.296 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.638 ' HA ' ' CB ' ' A' ' 832' ' ' ASP . 0.0 OUTLIER -146.09 158.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.118 0.414 . . . . 1.82 112.118 -178.453 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 876' ' ' VAL . 7.9 t-20 122.37 74.89 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.391 1.682 . . . . 2.99 110.989 169.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.653 ' H ' ' HD2' ' A' ' 879' ' ' PRO . 7.8 tpt -119.87 -54.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.503 -0.771 . . . . 4.08 110.597 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.653 ' HD2' ' H ' ' A' ' 878' ' ' MET . 39.5 Cg_endo -69.96 -68.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.689 1.593 . . . . 4.07 112.368 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . 0.404 ' HB2' ' H ' ' A' ' 881' ' ' MET . 11.9 p30 -158.38 -149.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.56 -0.291 . . . . 5.43 110.81 -178.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.404 ' H ' ' HB2' ' A' ' 880' ' ' ASN . 0.5 OUTLIER -81.42 75.26 8.39 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.015 0.436 . . . . 5.88 111.231 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -134.8 -169.54 2.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 4.99 109.48 173.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.519 ' HA2' HD23 ' A' ' 886' ' ' LEU . . . 129.67 -17.48 5.51 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.729 -0.748 . . . . 3.04 111.646 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.759 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 15.3 p90 -91.7 -44.43 9.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.691 0.758 . . . . 3.02 110.909 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.583 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.51 -25.83 39.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.819 0.818 . . . . 3.74 111.421 -170.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.519 HD23 ' HA2' ' A' ' 883' ' ' GLY . 0.2 OUTLIER -76.79 -22.1 54.19 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.536 -0.913 . . . . 2.82 108.536 -172.118 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 1.064 HG21 ' HG2' ' A' ' 919' ' ' MET . 14.7 m -76.01 -30.99 58.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.466 -1.243 . . . . 1.55 109.194 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.403 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 10.2 tt0 -60.16 -37.1 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.317 -0.856 . . . . 2.4 109.087 173.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -34.14 70.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.199 -0.91 . . . . 2.86 110.816 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.445 HG12 HD12 ' A' ' 861' ' ' LEU . 96.8 mt -61.72 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.886 0.374 . . . . 2.15 110.622 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.445 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -70.51 -23.3 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.75 110.958 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.74 -39.39 66.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 3.05 109.74 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -50.07 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.97 91.87 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.861 -0.685 . . . . 1.12 112.188 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.72 126.97 31.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.123 0.487 . . . . 3.34 110.86 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.47 -2.22 25.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 2.85 110.745 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.859 HD12 HG21 ' A' ' 872' ' ' VAL . 0.6 OUTLIER -148.7 162.32 30.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.6 . . . . 1.91 110.623 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 133.75 36.88 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.982 2.454 . . . . 1.09 112.895 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.6 t -113.24 118.91 59.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.661 . . . . 1.31 110.579 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.492 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 3.7 mt -104.71 109.93 29.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.757 -0.656 . . . . 1.28 109.935 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.26 130.14 10.18 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.479 -0.867 . . . . 0.51 112.048 -177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.6 OUTLIER -98.95 93.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.002 -0.74 . . . . 1.64 109.002 177.175 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 0.7 OUTLIER -88.14 165.68 14.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.303 -0.862 . . . . 1.35 110.995 -175.281 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . 0.609 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.06 119.25 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.814 0.672 . . . . 1.59 112.814 -174.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.49 43.09 2.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.055 -0.975 . . . . 3.03 113.259 165.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -123.64 -35.29 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.753 -0.379 . . . . 2.81 111.213 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.96 -48.2 0.66 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.607 0.763 . . . . 4.33 111.171 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -85.2 27.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 2.52 110.349 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.761 ' HG2' ' HB ' ' A' ' 903' ' ' THR . 2.0 mp0 -60.23 -35.94 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.759 -0.655 . . . . 3.31 110.664 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.21 -27.43 69.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.62 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -73.87 -38.4 64.44 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.099 -0.334 . . . . 2.7 110.099 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.69 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 3.0 mp0 -68.52 -30.07 68.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.742 -0.783 . . . . 3.07 109.496 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.414 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.49 -29.5 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.275 0.559 . . . . 4.72 110.214 172.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 34.7 m -75.17 -29.32 60.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.034 0.445 . . . . 2.18 109.903 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.1 mp -71.2 -53.7 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 2.39 111.633 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.759 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.16 -37.61 38.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.627 0.251 . . . . 3.47 110.926 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 m 54.28 52.08 13.2 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.355 0.872 . . . . 1.35 113.355 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -147.6 20.38 1.49 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.95 -1.119 . . . . 1.02 112.758 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 1.064 ' HG2' HG21 ' A' ' 887' ' ' THR . 2.4 mmt -97.26 -116.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.996 0.427 . . . . 2.46 111.408 -174.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' A' ' 919' ' ' MET . 2.0 t70 172.51 -51.68 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.276 -1.009 . . . . 1.26 108.276 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 157.3 44.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.358 -0.837 . . . . 1.26 110.672 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 118.99 21.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 2.14 110.633 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.21 -174.28 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 1.28 110.1 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.5 142.61 42.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.504 -0.317 . . . . 1.11 110.786 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.609 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 14.7 tttp -46.93 -43.83 43.78 Favored Pre-proline 0 N--CA 1.472 0.648 0 N-CA-C 113.758 1.021 . . . . 1.69 113.758 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 35.9 Cg_endo -67.3 59.34 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.849 1.699 . . . . 1.33 112.635 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.65 152.91 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.799 -0.637 . . . . 1.94 110.334 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.3 171.3 10.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.628 -0.26 . . . . 1.48 110.456 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.621 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -52.63 -45.75 66.78 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.41 0.444 . . . . 1.47 111.429 179.127 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.44 -47.79 74.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.448 -0.342 . . . . 1.85 110.695 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.61 -44.66 99.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.913 -0.585 . . . . 1.51 111.275 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 933' ' ' LYS . 1.9 tt -67.6 -35.97 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.518 -0.31 . . . . 1.69 110.675 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.518 ' N ' HG23 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.8 -35.24 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 2.36 110.435 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.59 -51.01 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.995 -0.548 . . . . 2.76 110.509 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.0 m -62.47 -40.12 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 1.23 111.095 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.813 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.5 OUTLIER -59.65 -54.9 41.0 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.41 110.513 176.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 54.2 m -61.33 -46.0 92.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.512 -0.767 . . . . 1.41 111.722 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -39.47 94.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 1.99 111.449 -177.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.9 -31.55 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 1.99 111.514 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 1.22 110.414 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.5 OUTLIER -69.61 -33.97 73.42 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.163 -0.31 . . . . 1.87 110.163 178.141 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.572 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -63.48 -47.49 81.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.328 -0.396 . . . . 3.6 110.61 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.4 -30.24 34.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.942 -0.303 . . . . 1.3 110.413 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -48.57 78.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 4.16 110.768 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.7 OUTLIER -78.17 -16.7 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 3.22 111.359 -178.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.5 m -79.92 -44.27 20.68 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.823 -0.351 . . . . 1.34 110.808 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -74.52 -47.81 30.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.915 0.388 . . . . 4.07 110.59 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.88 176.98 7.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.087 -0.506 . . . . 2.64 110.472 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.805 -0.616 . . . . 5.37 110.462 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.118 0.485 . . . . 7.3 110.45 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -73.96 163.77 27.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 5.65 110.51 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.72 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 5.7 110.753 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 40.9 m -116.42 92.67 3.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.802 -0.635 . . . . 4.93 109.484 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.04 150.31 48.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 4.74 110.566 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -63.41 -65.7 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.374 -0.602 . . . . 5.4 109.374 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 0.5 OUTLIER 179.23 -91.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 5.08 108.513 177.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 4.8 t70 173.76 -72.22 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.484 -0.78 . . . . 3.99 109.713 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.482 ' HG2' HD11 ' A' ' 827' ' ' ILE . 0.0 OUTLIER -145.79 126.2 14.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.829 -0.623 . . . . 2.4 110.431 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -91.7 121.77 33.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.055 -0.521 . . . . 2.38 109.644 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.482 HD11 ' HG2' ' A' ' 825' ' ' MET . 1.1 mm -117.23 141.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.637 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.731 HD13 HG12 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -98.61 115.25 28.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.521 . . . . 1.99 109.728 176.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.695 ' HB ' HD21 ' A' ' 840' ' ' LEU . 5.6 m -111.09 103.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.704 0.764 . . . . 1.67 110.735 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.8 t -104.4 141.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.344 -0.844 . . . . 1.56 109.864 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 9.4 t70 -158.05 127.08 5.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 1.3 110.207 169.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.25 9.42 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.874 -0.603 . . . . 2.03 112.516 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 2.7 m170 -133.89 127.14 19.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 122.089 -0.382 . . . . 2.8 110.345 173.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 62.2 Cg_exo -52.17 -43.01 56.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.763 2.975 . . . . 1.39 114.263 -172.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 835' ' ' ILE . 0.2 OUTLIER -64.82 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.084 -0.246 . . . . 2.71 111.122 -175.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.403 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 3.2 t30 -83.18 -29.79 28.31 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.455 -0.498 . . . . 2.24 110.75 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.23 -42.54 91.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.49 -0.559 . . . . 3.21 109.49 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.525 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -61.51 -50.28 73.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.281 -0.872 . . . . 3.24 110.303 176.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.525 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -70.45 -33.21 71.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.887 -0.597 . . . . 1.72 111.589 -172.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.695 HD21 ' HB ' ' A' ' 829' ' ' VAL . 13.0 tp -70.09 -37.46 75.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.787 -0.642 . . . . 1.99 109.97 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.82 65.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.164 -0.471 . . . . 1.25 110.337 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -48.48 79.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 1.34 109.458 175.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.705 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.3 mp0 -59.95 -50.2 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.064 -0.971 . . . . 2.07 111.173 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 844' ' ' LEU . 16.6 tp -63.55 -35.87 81.9 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.017 0.437 . . . . 1.81 111.017 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.5 -31.44 78.74 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.097 -0.573 . . . . 0.56 111.706 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 14.7 m -68.52 -28.11 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 1.03 110.265 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -39.73 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.14 109.576 172.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.98 20.32 24.04 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.551 -0.75 . . . . 0.62 111.434 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -100.13 156.69 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 1.67 111.049 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.35 124.59 23.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 2.92 110.584 -176.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 103.54 12.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.978 -0.555 . . . . 1.39 111.212 -175.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.419 ' O ' HD23 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -92.29 115.78 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 1.95 108.897 175.208 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.09 142.21 27.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.207 0.527 . . . . 1.24 112.381 -171.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 830' ' ' VAL . . . -156.32 168.35 27.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.011 -0.995 . . . . 1.15 108.5 175.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.7 p-10 -151.11 73.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 2.4 112.189 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.849 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 30.2 t0 164.02 157.56 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.825 -1.08 . . . . 1.45 109.312 173.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.11 67.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.768 -0.73 . . . . 0.66 111.298 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.82 -28.54 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 1.55 110.685 176.395 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.849 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 15.6 t0 -56.67 -38.5 72.3 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.012 0.434 . . . . 0.84 110.05 173.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.96 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.76 -0.654 . . . . 1.2 110.837 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.519 ' CD2' HG12 ' A' ' 890' ' ' ILE . 1.3 mm? -57.77 -50.32 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 2.43 110.724 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -60.86 -50.44 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.543 -0.753 . . . . 2.14 111.244 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.35 -32.32 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.554 -0.294 . . . . 1.53 111.29 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.421 HD23 HD22 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -66.79 -33.31 75.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 2.23 110.914 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 7.3 m -79.89 -27.61 39.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.97 111.197 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 -0.62 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.059 0.392 . . . . 3.88 112.059 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -160.35 137.71 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.318 -0.253 . . . . 1.86 110.318 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -89.65 130.41 35.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.214 0.531 . . . . 3.83 111.222 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -130.32 145.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 1.62 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.58 -55.52 3.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.984 0.421 . . . . 1.64 110.699 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 24.8 mt -106.96 121.42 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.168 -0.469 . . . . 1.68 110.067 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.731 HG12 HD13 ' A' ' 828' ' ' LEU . 87.0 t -115.28 128.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 1.3 110.929 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 828' ' ' LEU . 1.1 pp -136.53 137.85 40.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 1.46 110.295 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.762 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -125.62 117.67 24.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.232 0.539 . . . . 1.37 110.216 179.722 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.73 ' HB2' ' O ' ' A' ' 830' ' ' VAL . 0.6 OUTLIER -92.32 106.3 18.33 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.43 -0.805 . . . . 1.34 111.186 -177.389 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.502 ' H ' HG22 ' A' ' 876' ' ' VAL . 0.0 OUTLIER -84.0 103.08 10.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.833 -0.621 . . . . 1.82 109.571 176.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.08 28.06 4.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.294 -0.412 . . . . 2.99 111.03 -172.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.46 124.92 1.21 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 4.08 110.821 -176.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.3 131.34 40.4 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.612 2.208 . . . . 4.07 110.618 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.81 164.35 24.28 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.919 -0.312 . . . . 5.43 111.263 -173.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -0.77 56.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.552 0.692 . . . . 5.88 109.536 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.62 17.97 22.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.041 -0.982 . . . . 4.99 109.474 175.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.728 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -65.64 112.56 5.06 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.465 -0.789 . . . . 3.04 111.648 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.728 ' HB3' ' O ' ' A' ' 883' ' ' GLY . 1.0 OUTLIER 123.95 -30.96 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.055 1.742 . . . . 3.02 108.501 -174.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -80.71 -28.23 36.72 Favored 'General case' 0 N--CA 1.416 -2.137 0 C-N-CA 117.817 -1.553 . . . . 3.74 113.795 -173.219 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -58.48 -47.77 82.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.103 0.954 . . . . 2.82 109.274 -167.24 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.955 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 31.7 m -81.4 -24.79 36.71 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.366 -1.288 . . . . 1.55 110.053 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.776 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 25.4 tp60 -54.52 -40.53 68.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.598 -0.519 . . . . 2.4 109.598 174.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -36.52 69.11 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.995 -0.548 . . . . 2.86 110.491 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.675 HG13 ' HA ' ' A' ' 887' ' ' THR . 4.0 mt -54.82 -50.33 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.136 0.493 . . . . 2.15 111.036 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -71.65 -24.59 61.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 2.75 111.115 -178.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.09 -31.83 71.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 3.05 110.744 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.702 HD23 ' HG ' ' A' ' 895' ' ' LEU . 0.0 OUTLIER -72.32 -14.64 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 2.43 110.215 177.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.44 31.88 6.59 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.675 -0.774 . . . . 1.12 112.639 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.702 ' HG ' HD23 ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.07 142.22 50.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 3.34 110.572 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 10.4 t -147.96 38.74 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.894 0.854 . . . . 2.85 109.76 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 161.59 54.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.16 -0.927 . . . . 1.91 109.433 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.493 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 29.1 Cg_endo -62.33 113.81 2.08 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 122.784 2.323 . . . . 1.09 113.203 -176.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.781 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 61.3 t -113.85 125.23 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.635 -0.711 . . . . 1.31 110.598 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.45 126.33 55.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.794 -0.639 . . . . 1.28 109.973 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -110.75 110.49 2.81 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.689 -0.767 . . . . 0.51 111.792 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 61.1 t -92.09 117.4 35.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.684 -0.487 . . . . 1.64 109.684 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 909' ' ' GLU . 13.2 p -107.19 158.98 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 1.35 111.434 -171.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.77 103.99 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.501 -0.318 . . . . 1.59 111.084 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.04 32.39 18.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.62 -0.718 . . . . 3.03 112.426 175.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -93.7 92.84 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 2.81 109.177 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.51 14.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.908 0.707 . . . . 4.33 112.908 -171.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.6 25.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 2.52 110.306 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 903' ' ' THR . 0.0 OUTLIER -67.73 -28.8 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 3.31 111.231 -175.265 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.68 -29.64 70.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.115 0.483 . . . . 3.58 109.871 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -40.8 67.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.972 -0.558 . . . . 2.7 110.73 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.702 ' O ' ' HG3' ' A' ' 916' ' ' GLU . 5.3 mp0 -70.65 -34.28 71.88 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 119.09 -1.044 . . . . 3.07 109.362 175.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -40.34 58.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.171 0.51 . . . . 4.72 110.157 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 14.1 m -76.56 -30.72 57.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.817 -0.629 . . . . 2.18 111.655 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.5 OUTLIER -71.4 -53.18 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.082 0.401 . . . . 2.39 112.082 -178.195 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.955 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.1 OUTLIER -67.73 -34.34 76.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.788 0.435 . . . . 3.47 111.128 176.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.81 51.19 17.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.367 1.247 . . . . 1.35 114.367 172.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.426 ' H ' HG23 ' A' ' 887' ' ' THR . . . -147.42 23.87 1.53 Allowed Glycine 0 C--N 1.32 -0.316 0 C-N-CA 120.026 -1.083 . . . . 1.02 111.742 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.781 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.7 ttm -103.97 -125.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.621 0.248 . . . . 2.46 110.978 -174.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.508 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.4 t70 175.47 -54.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.865 -0.791 . . . . 1.26 108.865 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.03 152.19 35.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.35 -0.841 . . . . 1.26 110.203 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 6.6 m -116.42 145.01 43.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 2.14 110.745 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 19.4 mt -126.07 -179.56 4.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.384 -0.371 . . . . 1.28 110.108 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 27.5 m -108.27 148.5 29.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.828 -0.434 . . . . 1.11 109.828 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 925' ' ' LYS . 2.6 tptp -50.49 -44.06 81.85 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 114.873 1.434 . . . . 1.69 114.873 -170.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -69.05 57.43 1.15 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.182 1.921 . . . . 1.33 113.541 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.53 109.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.172 0.511 . . . . 1.94 110.683 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -179.21 4.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.867 -0.606 . . . . 1.48 110.731 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.705 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -57.28 -43.86 83.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.632 0.254 . . . . 1.47 111.185 -177.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.31 -44.72 90.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 1.85 110.412 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.74 -47.65 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.712 -0.677 . . . . 1.51 110.753 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.52 HG21 ' N ' ' A' ' 933' ' ' LYS . 1.6 tt -67.49 -29.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.005 -0.278 . . . . 1.69 111.005 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.52 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -70.65 -48.43 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.477 0.177 . . . . 2.36 111.477 -178.24 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -38.7 92.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.464 -0.495 . . . . 2.76 110.541 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 935' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 1.5 m -67.39 -44.46 78.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.352 -0.386 . . . . 1.23 110.858 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -63.35 -50.98 67.84 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.388 -0.369 . . . . 1.41 111.347 -177.794 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 53.9 m -62.37 -41.08 98.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.376 . . . . 1.41 111.693 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -42.7 66.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 1.99 110.917 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.6 OUTLIER -65.62 -49.05 70.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 1.99 110.807 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -58.76 -41.33 86.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 1.22 111.497 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 1.87 110.543 179.006 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.411 HH22 ' CG ' ' A' ' 920' ' ' ASP . 0.0 OUTLIER -73.8 -43.21 59.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.501 -0.318 . . . . 3.6 110.935 -176.022 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.54 -29.8 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.615 0.245 . . . . 1.3 110.886 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -64.1 -43.25 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.954 -0.387 . . . . 4.16 109.954 174.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.4 mttm -74.23 -19.58 60.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 3.22 110.957 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.5 m -82.81 -30.3 28.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 1.34 111.293 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 947' ' ' ARG . 0.4 OUTLIER -88.15 -45.82 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 4.07 110.696 -178.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 13.3 t70 71.62 -57.76 0.6 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.142 0.901 . . . . 2.64 111.868 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.681 -0.676 . . . . 5.37 110.602 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.6 pttt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.542 0.21 . . . . 7.3 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -148.75 -175.28 4.88 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.784 -0.189 . . . . 5.65 110.585 -176.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.41 120.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.043 -0.725 . . . . 5.7 109.043 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 821' ' ' ASP . 0.7 OUTLIER -99.48 -101.64 0.23 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.185 0.809 . . . . 4.93 113.185 -166.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.412 ' H ' ' HB2' ' A' ' 820' ' ' SER . 0.5 OUTLIER -105.72 137.55 43.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.328 0.862 . . . . 4.74 113.328 -161.468 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.96 127.29 13.05 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 114.955 -1.02 . . . . 5.4 109.321 169.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -129.41 88.39 2.69 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.391 -0.596 . . . . 5.08 109.391 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -81.96 64.6 6.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.347 -0.842 . . . . 3.99 108.89 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.0 mtp -74.05 121.92 21.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.805 -1.089 . . . . 2.4 109.707 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.479 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.4 mtm -87.33 117.99 26.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.667 -0.697 . . . . 2.38 110.842 -174.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.7 mm -118.52 129.56 74.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.011 -0.54 . . . . 1.17 109.881 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.656 ' HG ' HD12 ' A' ' 869' ' ' ILE . 0.4 OUTLIER -94.79 116.5 28.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.93 -0.577 . . . . 1.99 110.934 -178.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.494 HG13 HD13 ' A' ' 873' ' ' LEU . 3.9 m -95.29 95.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 1.67 109.365 174.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 854' ' ' ALA . 1.3 t -106.45 83.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 1.56 111.178 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.782 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -114.37 153.65 29.45 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 121.1 -0.24 . . . . 1.3 111.035 -174.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.26 -19.6 22.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.518 0.562 . . . . 2.03 112.518 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -107.42 105.25 55.41 Favored Pre-proline 0 C--O 1.221 -0.443 0 O-C-N 122.396 -0.19 . . . . 2.8 110.785 -174.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.9 Cg_endo -42.41 -40.07 6.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.816 3.011 . . . . 1.39 114.241 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.3 tt -62.94 -41.02 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.125 0.488 . . . . 2.71 111.144 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -32.26 62.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.514 . . . . 2.24 110.177 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.424 ' HD3' ' OD1' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -56.49 -43.69 79.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 3.21 110.015 173.6 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.51 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.98 -51.01 71.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.497 -0.774 . . . . 3.24 110.509 178.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.51 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.63 -32.85 62.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.47 -0.786 . . . . 1.72 111.713 -171.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.426 ' HG ' HG12 ' A' ' 829' ' ' VAL . 37.8 tp -73.29 -42.78 62.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.086 -0.506 . . . . 1.99 110.386 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.77 -24.56 63.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.181 0.515 . . . . 1.25 110.085 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.03 -49.76 66.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 1.34 109.902 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.619 ' HG3' HD22 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.9 -37.24 81.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.834 -0.621 . . . . 2.07 110.218 176.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.823 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -59.69 -42.71 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.624 -0.716 . . . . 1.81 110.336 176.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.79 75.73 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.674 -0.694 . . . . 0.56 112.354 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 4.2 m -61.82 -40.84 96.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.46 0.171 . . . . 1.03 110.91 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.861 HD11 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.69 -39.87 88.3 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.492 -0.558 . . . . 2.14 109.492 175.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 98.5 38.59 3.92 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.66 -0.7 . . . . 0.62 112.396 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -113.25 -176.31 2.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.997 -0.371 . . . . 1.67 109.997 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.479 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.2 OUTLIER -84.99 108.29 17.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.627 -0.26 . . . . 2.92 110.899 -176.064 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 116.43 27.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.558 -0.292 . . . . 1.39 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -112.13 132.18 55.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.134 -0.691 . . . . 1.95 109.134 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.05 138.89 33.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.352 0.501 . . . . 1.24 112.352 -171.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.463 ' HB2' HD22 ' A' ' 828' ' ' LEU . . . -158.66 163.86 36.49 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.993 -0.743 . . . . 1.15 108.993 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.645 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 17.4 p-10 -149.9 72.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.706 -0.797 . . . . 2.4 112.989 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.645 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.55 161.19 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.646 1.179 . . . . 1.45 109.505 166.466 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -63.2 -43.31 98.78 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.041 -0.6 . . . . 0.66 113.366 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.944 ' HA ' HD22 ' A' ' 861' ' ' LEU . 3.9 m -73.95 -31.21 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.465 . . . . 1.55 110.852 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.419 ' HB2' ' OD2' ' A' ' 856' ' ' ASP . 5.1 t0 -59.49 -39.17 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.84 110.578 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -59.13 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 1.2 111.486 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.944 HD22 ' HA ' ' A' ' 858' ' ' VAL . 1.5 pp -72.69 -35.02 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 2.43 111.065 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.3 -48.11 76.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.168 0.508 . . . . 2.14 110.762 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 4.7 p -70.82 -31.05 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.128 -0.487 . . . . 1.53 110.692 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.666 HD23 ' HB ' ' A' ' 869' ' ' ILE . 0.2 OUTLIER -66.48 -35.74 81.03 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.933 0.345 . . . . 2.23 111.933 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -39.15 66.08 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.87 -0.332 . . . . 0.97 110.186 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -67.27 -49.7 63.31 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.117 0.484 . . . . 3.88 110.874 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.25 128.4 37.77 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.134 -0.691 . . . . 1.86 109.134 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -82.18 139.83 34.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.177 0.513 . . . . 3.83 111.437 -172.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.666 ' HB ' HD23 ' A' ' 864' ' ' LEU . 0.1 OUTLIER -125.19 155.08 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.268 -0.878 . . . . 1.62 109.133 -177.736 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 869' ' ' ILE . 19.7 m-20 -79.42 -53.81 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 1.64 111.356 -175.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 1.2 mm -132.22 138.62 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.372 -0.376 . . . . 1.68 110.621 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 828' ' ' LEU . 16.9 t -116.92 135.19 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.222 -0.191 . . . . 1.3 110.588 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.494 HD13 HG13 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -124.97 108.52 11.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 1.46 110.203 175.11 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.45 99.78 12.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 1.37 110.32 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.782 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 32.9 t0 -90.05 105.63 17.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.438 -0.801 . . . . 1.34 110.122 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.09 119.45 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.315 0.579 . . . . 1.82 112.019 -173.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.49 ' HB3' ' HD2' ' A' ' 925' ' ' LYS . 0.6 OUTLIER -109.5 -13.07 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.546 -0.752 . . . . 2.99 110.345 174.278 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 14.3 tpt -69.28 112.95 13.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 4.08 111.151 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -80.99 77.08 4.19 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.697 2.265 . . . . 4.07 111.688 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -88.13 -179.35 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.87 . . . . 5.43 109.985 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.35 2.61 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.562 . . . . 5.88 110.172 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -113.01 -136.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.574 -0.739 . . . . 4.99 109.791 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 103.15 5.99 45.89 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.142 -0.783 . . . . 3.04 111.142 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.816 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 2.8 p90 -133.9 -56.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.089 0.947 . . . . 3.02 110.712 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.605 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.46 -26.4 63.32 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.031 -0.986 . . . . 3.74 111.492 -162.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.489 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.06 -34.79 78.88 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.802 0.81 . . . . 2.82 109.104 -172.149 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.569 HG21 ' HG3' ' A' ' 919' ' ' MET . 5.8 m -79.77 -27.11 40.47 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.578 -1.192 . . . . 1.55 110.078 178.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.457 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 2.0 tt0 -61.1 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.461 -0.57 . . . . 2.4 109.461 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.5 OUTLIER -60.36 -40.99 92.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.116 -0.947 . . . . 2.86 110.361 174.342 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.545 HG12 ' HB3' ' A' ' 861' ' ' LEU . 74.6 mt -56.61 -49.59 77.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.979 -0.555 . . . . 2.15 110.745 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.897 -0.592 . . . . 2.75 110.782 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.483 ' HG2' HH11 ' A' ' 889' ' ' ARG . 2.9 tp60 -62.23 -35.22 78.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 3.05 110.521 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -26.1 63.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 2.43 110.965 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 69.83 61.04 4.57 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.941 -0.647 . . . . 1.12 111.509 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.852 HD13 HD21 ' A' ' 897' ' ' LEU . 0.0 OUTLIER -89.53 145.88 24.98 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.838 0.351 . . . . 3.34 110.522 -175.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.47 68.49 1.38 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.85 111.682 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.852 HD21 HD13 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -164.68 146.26 6.67 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.151 -0.477 . . . . 1.91 110.602 -175.738 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -81.84 133.99 8.23 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.671 2.247 . . . . 1.09 112.156 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.813 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 3.3 t -110.56 114.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.144 -0.48 . . . . 1.31 110.445 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.684 HG21 HD12 ' A' ' 923' ' ' LEU . 3.4 mt -98.55 106.95 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.704 . . . . 1.28 110.073 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.411 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -83.93 103.87 2.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.685 -0.769 . . . . 0.51 112.57 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.507 ' H ' HG23 ' A' ' 902' ' ' VAL . 0.2 OUTLIER -81.43 94.24 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.737 -0.838 . . . . 1.64 108.737 173.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 1.8 p -102.28 152.71 20.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.426 0.528 . . . . 1.35 112.426 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -135.69 103.15 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 1.59 110.563 173.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' A' ' 905' ' ' ASN . 0.8 OUTLIER 44.56 72.3 0.21 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.946 -1.024 . . . . 3.03 112.869 178.166 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.837 ' HB1' ' HG3' ' A' ' 909' ' ' GLU . . . -105.15 28.76 6.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.943 -0.572 . . . . 2.81 110.123 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 11.4 mt 72.72 -67.8 0.25 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.189 -0.914 . . . . 4.33 111.981 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -137.4 67.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.971 0.415 . . . . 2.52 110.606 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.837 ' HG3' ' HB1' ' A' ' 906' ' ' ALA . 31.7 mp0 -58.96 -49.64 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.742 -0.663 . . . . 3.31 111.795 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -26.62 67.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.768 0.318 . . . . 3.58 110.605 -176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.24 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.3 -0.409 . . . . 2.7 110.32 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.816 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -74.52 -37.3 63.13 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 119.476 -0.89 . . . . 3.07 109.261 176.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.525 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -52.81 -40.34 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.421 0.451 . . . . 4.72 110.75 177.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.12 -29.39 54.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.399 -0.364 . . . . 2.18 111.245 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -70.21 -52.16 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 2.39 111.251 -177.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.4 -38.39 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 3.47 110.59 177.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.74 50.58 17.79 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.458 -0.792 . . . . 1.35 112.691 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -131.15 -6.06 3.62 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.231 -0.985 . . . . 1.02 112.852 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.813 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.5 mtm -85.64 -98.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.408 0.104 . . . . 2.46 110.87 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.4 t70 133.01 -55.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.227 1.811 . . . . 1.26 110.368 172.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.627 ' HB2' HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -104.3 156.64 17.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.675 -0.239 . . . . 1.26 110.881 -177.131 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.38 135.03 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.372 . . . . 2.14 111.048 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.684 HD12 HG21 ' A' ' 900' ' ' ILE . 0.4 OUTLIER -132.82 -175.32 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.763 -0.458 . . . . 1.28 109.763 177.016 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.63 140.24 42.28 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.59 -0.522 . . . . 1.11 109.59 176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.49 ' HD2' ' HB3' ' A' ' 877' ' ' ASN . 5.4 ttmm -46.52 -48.45 47.49 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.907 0.706 . . . . 1.69 112.907 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 51.0 Cg_endo -70.06 69.54 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.748 1.632 . . . . 1.33 112.487 175.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -87.52 169.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.94 110.435 175.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.51 172.82 11.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 1.48 110.491 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.619 HD22 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -46.85 88.58 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.173 0.295 . . . . 1.47 111.685 -174.479 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.52 -30.39 59.77 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.811 -0.356 . . . . 1.85 111.103 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.99 -44.91 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 1.51 109.895 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.5 tt -69.98 -24.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 1.69 110.225 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.419 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -71.67 -48.2 49.17 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.24 -0.436 . . . . 2.36 111.295 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -36.5 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.627 -0.429 . . . . 2.76 110.263 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 93.3 m -65.5 -49.55 68.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.743 0.306 . . . . 1.23 111.006 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.861 ' HG ' HD11 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.43 -49.66 76.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 1.41 110.568 179.281 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.6 m -65.61 -41.89 92.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.586 -0.734 . . . . 1.41 111.844 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -47.12 87.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 1.99 110.998 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.502 ' HH ' ' HG ' ' A' ' 921' ' ' SER . 0.7 OUTLIER -73.19 -30.0 63.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 1.99 110.977 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.76 93.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 1.22 110.625 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -64.66 -36.7 85.12 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.802 -0.444 . . . . 1.87 109.802 176.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.498 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -63.5 -48.08 79.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.02 -0.536 . . . . 3.6 111.153 -177.096 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 18.8 m -75.37 -31.47 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.474 -0.33 . . . . 1.3 111.223 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -75.69 -37.3 59.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.997 -0.281 . . . . 4.16 111.411 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -30.55 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 3.22 110.601 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 17.9 m -79.15 -21.45 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 1.34 110.615 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -86.56 -56.39 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 4.07 110.936 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.65 109.78 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.97 -0.559 . . . . 2.64 110.809 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.469 -0.776 . . . . 5.37 110.245 -179.749 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.969 -0.382 . . . . 7.3 109.969 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.91 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.629 -0.26 . . . . 5.65 110.46 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.9 p -88.51 119.11 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.169 0.509 . . . . 5.7 110.701 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.37 73.03 10.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.054 -0.521 . . . . 4.93 110.35 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -109.35 162.32 14.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.882 -0.599 . . . . 4.74 110.502 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -137.4 -11.83 1.62 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 5.4 110.932 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 17.0 t0 57.54 60.35 2.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.554 -0.906 . . . . 5.08 108.554 -168.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.01 65.6 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.826 -1.079 . . . . 3.99 111.618 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.05 126.14 30.44 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.808 . . . . 2.4 109.416 173.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.575 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 27.3 mtm -89.98 115.65 27.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 2.38 110.9 -174.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.599 ' HB ' HD23 ' A' ' 844' ' ' LEU . 0.9 OUTLIER -109.17 134.98 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.147 0.499 . . . . 1.17 110.569 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.679 ' HB2' HG23 ' A' ' 869' ' ' ILE . 0.7 OUTLIER -98.45 105.41 17.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.781 -0.645 . . . . 1.99 110.333 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.491 ' H ' HG11 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -92.12 104.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.572 0.701 . . . . 1.67 109.447 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.85 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 11.4 t -113.35 133.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.545 -0.752 . . . . 1.56 109.935 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -159.03 138.97 11.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.956 -0.387 . . . . 1.3 109.956 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -81.19 -7.51 59.58 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.171 0.804 . . . . 2.03 113.171 -175.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -122.82 96.57 45.08 Favored Pre-proline 0 N--CA 1.467 0.407 0 O-C-N 121.431 -0.793 . . . . 2.8 111.405 -174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -30.74 -52.0 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.769 1 C-N-CA 125.418 4.079 . . . . 1.39 116.305 -170.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.496 HG23 HD11 ' A' ' 835' ' ' ILE . 0.4 OUTLIER -56.4 -41.94 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.155 0.503 . . . . 2.71 111.6 -178.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.456 ' N ' HG22 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -78.52 -32.44 48.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.067 -0.346 . . . . 2.24 110.067 -178.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.514 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -57.97 -47.22 83.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 3.21 110.796 175.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -36.83 83.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.438 -0.346 . . . . 3.24 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -48.11 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 1.72 110.526 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.484 HD13 HD13 ' A' ' 932' ' ' ILE . 17.2 tp -61.42 -40.23 93.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.728 -0.669 . . . . 1.99 111.003 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.77 73.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 1.25 110.747 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.96 -49.09 71.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 1.34 110.244 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.494 ' HG3' HD21 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -56.09 -39.55 72.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.608 0.567 . . . . 2.07 110.488 177.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.599 HD23 ' HB ' ' A' ' 827' ' ' ILE . 6.5 tp -62.38 -40.37 96.24 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.64 -0.709 . . . . 1.81 110.686 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.84 79.56 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.925 -0.655 . . . . 0.56 112.246 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -35.68 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 1.03 110.625 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.619 HD23 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.63 -34.94 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.035 -0.53 . . . . 2.14 110.847 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 99.25 20.11 18.98 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.836 -0.697 . . . . 0.62 112.287 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.71 165.99 10.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.385 -0.228 . . . . 1.67 110.385 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.575 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.9 OUTLIER -70.01 131.28 44.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 2.92 110.963 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.12 104.6 10.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.27 -0.423 . . . . 1.39 111.513 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.71 118.82 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.373 -0.603 . . . . 1.95 109.373 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.28 132.95 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.187 0.44 . . . . 1.24 112.187 -171.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.514 ' O ' ' HD2' ' A' ' 837' ' ' ARG . . . -142.26 166.97 23.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 1.15 109.768 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 17.4 p-10 -147.02 73.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.245 0.545 . . . . 2.4 111.763 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.594 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t0 163.72 164.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.908 -1.042 . . . . 1.45 109.003 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -76.42 -46.11 12.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.175 -1.012 . . . . 0.66 110.604 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 861' ' ' LEU . 7.2 m -66.56 -29.01 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.429 . . . . 1.55 110.475 177.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 34.2 t0 -56.03 -42.89 77.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.67 -0.695 . . . . 0.84 110.369 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -64.2 -36.27 83.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 1.2 110.593 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.539 ' CD2' ' HG3' ' A' ' 889' ' ' ARG . 3.0 mp -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 2.43 110.624 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.86 -55.55 33.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 2.14 110.791 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.61 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 115.895 -0.593 . . . . 1.53 111.122 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -62.77 -37.37 86.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.072 0.463 . . . . 2.23 110.818 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.3 m -72.93 -26.81 61.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.781 -0.645 . . . . 0.97 111.151 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -82.52 -48.06 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 3.88 110.919 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -143.57 135.3 26.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.95 -0.568 . . . . 1.86 109.913 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.85 111.85 8.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.995 0.426 . . . . 3.83 111.767 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.679 HG23 ' HB2' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -88.13 151.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 1.62 109.326 174.187 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.413 ' N ' HG22 ' A' ' 869' ' ' ILE . 12.2 m-20 -80.85 -54.88 5.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.537 -0.301 . . . . 1.64 111.774 -173.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 136.91 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.598 -0.273 . . . . 1.68 110.281 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 897' ' ' LEU . 52.9 t -108.95 129.93 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.654 -0.248 . . . . 1.3 110.489 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.469 HD21 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.41 99.18 6.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.664 -0.495 . . . . 1.46 109.664 172.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.85 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -104.18 109.61 21.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 1.37 110.87 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.572 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 35.4 t0 -95.29 117.98 31.24 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.596 0.712 . . . . 1.34 110.521 177.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.6 91.94 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.82 111.401 -174.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -102.24 42.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.57 0.7 . . . . 2.99 109.329 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.601 ' HE1' ' HB2' ' A' ' 880' ' ' ASN . 8.9 tpt -158.36 93.15 2.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.116 -0.947 . . . . 4.08 109.719 -176.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -91.42 31.02 0.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.13 2.553 . . . . 4.07 113.241 -176.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . 0.601 ' HB2' ' HE1' ' A' ' 878' ' ' MET . 2.6 t30 -69.21 -48.01 63.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 5.43 110.557 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 2.5 tpt -89.56 53.05 2.48 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.113 0.483 . . . . 5.88 110.672 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.588 ' HB3' ' CE1' ' A' ' 884' ' ' TYR . 0.5 OUTLIER 48.6 82.1 0.04 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-N 114.391 -1.277 . . . . 4.99 111.717 174.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -63.69 103.39 0.68 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.204 -0.759 . . . . 3.04 111.204 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.728 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 2.8 p90 165.95 -54.91 0.0 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-O 122.842 1.306 . . . . 3.02 109.619 -174.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.726 ' HD3' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -66.94 -22.61 65.93 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.314 -0.866 . . . . 3.74 111.058 -170.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.512 HD23 ' HA2' ' A' ' 883' ' ' GLY . 0.1 OUTLIER -58.93 -45.97 89.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.578 0.704 . . . . 2.82 109.655 -169.593 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.712 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 3.8 m -73.04 -31.13 64.23 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.028 -0.987 . . . . 1.55 109.966 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.726 ' HB3' ' HD3' ' A' ' 885' ' ' ARG . 6.4 tt0 -59.98 -37.41 79.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.3 0.572 . . . . 2.4 110.27 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.539 ' HG3' ' CD2' ' A' ' 861' ' ' LEU . 1.4 tpm_? -68.55 -37.78 80.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.347 -0.842 . . . . 2.86 110.382 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.423 HG21 HD23 ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.7 -37.2 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.686 0.279 . . . . 2.15 110.849 177.056 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.646 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -72.96 -41.77 64.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.94 0.4 . . . . 2.75 110.422 179.392 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.431 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 1.1 tp-100 -68.3 -25.3 65.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.992 -0.549 . . . . 3.05 110.604 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -50.97 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.002 -0.545 . . . . 2.43 110.302 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.17 87.55 0.71 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.674 -0.774 . . . . 1.12 111.881 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 3.34 110.935 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.37 32.35 5.37 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.435 0.636 . . . . 2.85 109.898 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.594 HD11 HG21 ' A' ' 872' ' ' VAL . 1.1 pt? -156.28 155.72 29.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.49 -0.777 . . . . 1.91 109.747 -174.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.81 127.98 14.47 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 122.63 2.22 . . . . 1.09 111.97 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 57.0 t -106.47 113.62 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.559 0.695 . . . . 1.31 110.422 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.558 HG22 HD11 ' A' ' 923' ' ' LEU . 7.2 mt -97.4 105.43 17.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.359 -0.837 . . . . 1.28 109.941 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.467 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -86.51 109.47 3.4 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.852 -0.69 . . . . 0.51 112.277 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -89.09 128.42 41.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.451 -0.944 . . . . 1.64 108.451 174.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 924' ' ' SER . 4.7 p -144.72 162.01 37.79 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.936 -0.306 . . . . 1.35 111.036 -174.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -139.62 102.75 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.0 -0.28 . . . . 1.59 110.692 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t30 42.54 74.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.133 0.895 . . . . 3.03 112.706 176.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -103.2 22.39 14.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 2.81 110.169 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.71 73.72 0.47 Allowed 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.292 -0.867 . . . . 4.33 110.6 -177.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 907' ' ' LEU . . . 73.17 56.61 0.11 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.75 -1.114 . . . . 2.52 111.078 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.521 ' HA ' ' OE1' ' A' ' 912' ' ' GLN . 9.0 pm0 -61.56 -31.36 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 3.31 110.187 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.87 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.889 -0.596 . . . . 3.58 110.02 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.426 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -71.93 -34.75 69.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.116 -0.493 . . . . 2.7 110.479 179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.643 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 3.3 mp0 -67.53 -38.17 83.81 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.326 -0.95 . . . . 3.07 108.764 173.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.414 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -54.17 -32.97 56.89 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.511 0.507 . . . . 4.72 111.15 177.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -29.99 52.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 2.18 111.206 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 912' ' ' GLN . 22.6 mt -72.99 -53.27 11.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.976 0.361 . . . . 2.39 111.976 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.728 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.23 -41.28 34.78 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.993 0.368 . . . . 3.47 111.993 -178.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 917' ' ' SER . . . . . 0.646 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 52.18 52.07 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 114.058 1.132 . . . . 1.35 114.058 174.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.522 ' H ' HG21 ' A' ' 887' ' ' THR . . . -135.74 24.13 3.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.255 -0.974 . . . . 1.02 111.93 175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.5 mtt -103.13 -120.41 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 2.46 111.296 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.532 ' HB2' ' O ' ' A' ' 919' ' ' MET . 31.4 t0 162.52 -52.78 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.799 1.24 . . . . 1.26 109.073 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.456 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -123.26 161.03 25.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.615 -0.72 . . . . 1.26 110.501 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 0.5 OUTLIER -144.62 132.64 21.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.972 -0.381 . . . . 2.14 109.972 177.216 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.558 HD11 HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -132.65 -176.73 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.56 -0.291 . . . . 1.28 110.569 -179.234 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.1 OUTLIER -101.6 149.7 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 1.11 109.897 178.694 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.439 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -47.1 -49.81 49.41 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 113.467 0.914 . . . . 1.69 113.467 -178.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 56.6 Cg_endo -70.52 60.7 2.1 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.042 1.828 . . . . 1.33 113.825 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 56.0 t -79.4 102.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 1.94 109.922 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.92 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 1.48 111.261 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.494 HD21 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -56.56 -45.99 80.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 1.47 111.66 -176.351 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.74 -38.73 83.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.067 0.461 . . . . 1.85 110.626 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.07 -45.79 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.51 110.38 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.1 tt -65.57 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 1.69 110.409 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 2.36 110.398 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.0 -53.9 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 2.76 110.527 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -44.61 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 1.23 111.593 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.619 ' HG ' HD23 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -58.65 -59.98 4.55 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.225 -0.443 . . . . 1.41 111.167 -179.019 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.3 m -60.3 -42.32 95.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 1.41 111.716 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -49.05 62.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.283 . . . . 1.99 111.457 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -74.27 -29.59 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.013 -0.275 . . . . 1.99 111.324 -175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.66 -43.22 90.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.679 0.276 . . . . 1.22 110.29 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -72.06 -27.68 62.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 1.87 110.225 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 1.2 ttt180 -65.57 -47.35 76.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 3.6 110.057 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.2 -30.27 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 1.3 110.643 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -69.66 -38.01 76.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.451 0.167 . . . . 4.16 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -75.42 -27.68 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.635 0.255 . . . . 3.22 110.711 178.123 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.0 m -72.68 -35.7 67.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.203 0.525 . . . . 1.34 110.306 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -18.6 56.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 4.07 110.554 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -69.97 81.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.912 -0.585 . . . . 2.64 110.547 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.89 0 N-CA-C 109.297 -0.631 . . . . 5.37 109.297 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.408 ' H2 ' ' HG3' ' A' ' 817' ' ' LYS . 28.1 mttt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.924 0.392 . . . . 7.3 110.365 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -156.05 179.2 9.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.543 -0.54 . . . . 5.65 109.543 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 8.1 p -146.48 140.26 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.429 0.633 . . . . 5.7 111.93 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 69.3 m -154.29 148.9 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.18 -1.045 . . . . 4.93 108.18 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -170.14 -169.77 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.045 0.387 . . . . 4.74 112.045 -175.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 76.67 81.3 0.09 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 124.395 1.078 . . . . 5.4 112.464 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -112.15 56.28 0.66 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 105.796 -1.927 . . . . 5.08 105.796 161.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -57.6 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 113.774 -1.557 . . . . 3.99 112.678 -164.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 1.4 tpp -136.58 136.67 39.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.363 -0.38 . . . . 2.4 110.232 -178.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.487 ' HE2' ' HB2' ' A' ' 826' ' ' MET . 3.7 mtm -95.04 124.52 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.265 -0.425 . . . . 2.38 110.817 -177.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -113.88 133.33 60.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 1.17 109.492 176.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.533 HD11 HG13 ' A' ' 863' ' ' VAL . 32.1 tp -107.93 114.14 27.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.873 0.368 . . . . 1.99 110.951 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.552 HG21 HD22 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -94.17 105.3 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 1.67 108.9 174.169 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.559 HG21 ' O ' ' A' ' 873' ' ' LEU . 0.1 OUTLIER -109.25 82.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.672 -0.695 . . . . 1.56 110.672 -177.013 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.614 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 52.8 t0 -108.5 125.63 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.43 -0.582 . . . . 1.3 109.43 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . 0.782 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 0.7 OUTLIER -53.86 -36.69 62.88 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.922 0.764 . . . . 2.03 111.506 -179.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.52 109.15 56.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 2.8 110.67 -175.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.51 -28.71 37.29 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.482 2.788 . . . . 1.39 113.597 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -46.7 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.141 0.496 . . . . 2.71 111.402 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.614 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.8 OUTLIER -83.6 -23.04 32.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.518 -0.549 . . . . 2.24 109.518 179.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.48 ' HD3' HG21 ' A' ' 853' ' ' THR . 2.1 ttm180 -60.7 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.405 -0.816 . . . . 3.21 110.561 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -29.01 67.2 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.927 -0.309 . . . . 3.24 110.331 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 836' ' ' ASN . 2.7 mt -63.06 -51.28 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 1.72 110.47 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.552 HD22 HG21 ' A' ' 829' ' ' VAL . 14.3 tp -63.08 -36.68 84.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 1.99 110.705 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.2 -28.23 68.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 1.25 111.289 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.37 -41.75 63.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 1.34 110.227 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.606 ' HG3' HD21 ' A' ' 929' ' ' LEU . 2.3 mp0 -62.37 -38.45 89.62 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.469 0.652 . . . . 2.07 109.808 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -37.54 84.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.428 -0.806 . . . . 1.81 109.955 173.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.47 -33.21 85.69 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.396 -0.82 . . . . 0.56 112.388 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 -29.8 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 1.03 110.482 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -71.28 -44.9 64.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 2.14 110.16 174.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.51 24.63 25.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.62 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.2 175.46 5.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.307 -0.257 . . . . 1.67 110.307 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 825' ' ' MET . 4.1 mm-40 -66.59 124.03 21.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.852 0.358 . . . . 2.92 110.473 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.72 112.73 24.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.941 -0.572 . . . . 1.39 111.14 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.6 127.43 55.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.469 -0.567 . . . . 1.95 109.469 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.48 HG21 ' HD3' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -106.34 133.8 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.338 0.495 . . . . 1.24 112.338 -174.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -158.03 -172.29 3.85 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.417 -0.586 . . . . 1.15 109.417 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.782 ' HB2' ' HA ' ' A' ' 832' ' ' ASP . 12.6 p-10 -156.53 75.28 0.85 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.902 0.704 . . . . 2.4 112.902 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.7 t0 164.13 162.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.379 0.672 . . . . 1.45 109.498 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.932 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -82.06 -35.89 19.9 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.332 -1.107 . . . . 0.66 110.332 172.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.611 ' HA ' HD21 ' A' ' 861' ' ' LEU . 13.1 m -73.28 -31.15 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.996 0.427 . . . . 1.55 110.117 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.59 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 7.8 t0 -76.06 -24.53 55.12 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.679 -0.489 . . . . 0.84 109.679 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -47.33 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 1.2 110.514 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 858' ' ' VAL . 1.3 pp -73.55 -26.96 61.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.749 0.309 . . . . 2.43 110.672 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.95 -55.54 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.059 0.457 . . . . 2.14 110.229 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 828' ' ' LEU . 5.1 p -65.55 -30.98 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.109 -0.496 . . . . 1.53 110.526 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -67.3 -32.46 73.45 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.417 -0.356 . . . . 2.23 111.195 176.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 67.2 m -66.53 -33.77 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.952 -0.388 . . . . 0.97 109.952 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 0.4 OUTLIER -74.69 -57.19 4.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.953 -0.567 . . . . 3.88 110.503 175.483 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 1.9 t-20 -124.68 123.62 40.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.549 -0.537 . . . . 1.86 109.549 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -71.41 89.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 3.83 110.894 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.91 145.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.726 -0.67 . . . . 1.62 109.569 172.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -87.45 -68.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 1.64 111.098 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.485 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.1 mt -99.74 130.78 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.68 110.158 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.05 131.25 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.69 0.281 . . . . 1.3 111.564 -174.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.766 HD22 HD11 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -116.19 99.43 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 1.46 109.655 174.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.447 ' HG ' ' HA2' ' A' ' 901' ' ' GLY . 1.5 p -85.28 102.02 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.899 -0.408 . . . . 1.37 109.899 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.563 ' CG ' ' HZ2' ' A' ' 925' ' ' LYS . 8.7 t0 -105.0 124.45 49.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.34 111.068 -173.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.8 122.55 62.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.93 -0.577 . . . . 1.82 110.745 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.565 ' HA ' ' HD3' ' A' ' 925' ' ' LYS . 0.1 OUTLIER -88.14 -14.76 37.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.467 0.651 . . . . 2.99 109.625 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 16.3 tpt -84.22 118.22 70.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.916 -1.038 . . . . 4.08 110.84 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.62 163.28 24.14 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.682 2.254 . . . . 4.07 111.403 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 64.1 t30 73.1 -52.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.641 0.588 . . . . 5.43 110.946 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -102.4 74.17 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.071 -0.715 . . . . 5.88 109.071 173.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -87.41 -153.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.391 -0.822 . . . . 4.99 111.904 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.618 ' HA2' HD23 ' A' ' 886' ' ' LEU . . . -99.36 12.4 61.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.186 -0.531 . . . . 3.04 113.293 -172.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.617 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 1.1 p90 -53.7 -65.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.426 0.632 . . . . 3.02 111.807 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.2 tmm_? -60.83 -30.45 70.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 3.74 111.737 -168.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.932 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 1.4 pp -76.94 -18.74 58.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.199 1.0 . . . . 2.82 108.315 -172.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.603 ' HB ' ' O ' ' A' ' 884' ' ' TYR . 73.4 m -70.06 -35.72 74.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.481 -1.69 . . . . 1.55 108.226 173.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 5.6 tt0 -64.13 -39.11 93.33 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.77 -1.105 . . . . 2.4 110.861 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.467 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.14 -36.8 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 2.86 110.474 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.588 HG22 ' HB3' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.94 -35.46 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.943 0.401 . . . . 2.15 109.992 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.615 ' HA ' HD23 ' A' ' 895' ' ' LEU . 1.4 ttm180 -65.07 -43.97 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.874 -0.603 . . . . 2.75 110.343 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -36.17 82.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 3.05 111.346 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.36 -23.01 61.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.527 . . . . 2.43 110.861 -178.069 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 98.67 82.86 1.69 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.8 -0.92 . . . . 1.12 110.8 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -79.3 128.89 33.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.82 0.819 . . . . 3.34 112.335 -172.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 896' ' ' THR . . . . . 0.739 ' H ' HD23 ' A' ' 897' ' ' LEU . 0.1 OUTLIER -112.22 6.42 18.97 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.314 -1.365 . . . . 2.85 107.314 170.341 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.739 HD23 ' H ' ' A' ' 896' ' ' THR . 1.2 mm? -105.81 130.5 22.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 113.874 -1.512 . . . . 1.91 111.729 -163.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.18 106.73 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.69 2.26 . . . . 1.09 109.741 166.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.924 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 40.1 t -102.61 123.81 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.445 0.641 . . . . 1.31 112.14 -171.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.766 HD11 HD22 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -104.62 112.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.41 -0.813 . . . . 1.28 109.038 173.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.447 ' HA2' ' HG ' ' A' ' 874' ' ' SER . . . -91.79 121.53 6.42 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.773 -0.727 . . . . 0.51 112.451 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.16 94.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.235 -0.654 . . . . 1.64 109.235 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.3 OUTLIER -96.9 163.02 13.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.054 -0.521 . . . . 1.35 111.693 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -121.68 104.2 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 1.59 111.703 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.9 t30 40.63 59.98 2.01 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.278 0.987 . . . . 3.03 113.097 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' ' 909' ' ' GLU . . . -118.24 92.17 3.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.591 . . . . 2.81 109.403 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 126.68 2.82 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.603 0.564 . . . . 4.33 111.727 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 71.28 45.08 0.5 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.094 0.871 . . . . 2.52 111.049 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 906' ' ' ALA . 4.4 mt-10 -58.45 -42.66 87.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 3.31 110.238 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.103 -0.953 . . . . 3.58 110.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -36.38 57.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.167 -0.469 . . . . 2.7 110.239 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -71.94 -35.53 69.63 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.299 -0.56 . . . . 3.07 109.792 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -59.4 -40.76 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 4.72 110.068 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.89 -35.41 78.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 2.18 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -48.25 56.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 2.39 111.745 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.617 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 5.2 mm-40 -77.93 -23.38 48.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.191 -0.459 . . . . 3.47 111.328 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.6 m 52.11 53.0 13.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.787 1.403 . . . . 1.35 114.787 167.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.44 25.14 1.53 Allowed Glycine 0 C--O 1.226 -0.363 0 C-N-CA 119.968 -1.11 . . . . 1.02 113.108 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.924 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.5 ttm -111.67 -125.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.479 -0.424 . . . . 2.46 111.604 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.488 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.8 t70 177.2 -51.89 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.366 -0.834 . . . . 1.26 109.023 174.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 70.7 m -140.31 149.75 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.569 -0.741 . . . . 1.26 110.499 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.41 136.69 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 2.14 110.997 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.56 -175.46 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 1.28 109.084 177.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 903' ' ' THR . 2.1 m -128.53 158.31 38.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.704 -0.398 . . . . 1.11 110.94 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.565 ' HD3' ' HA ' ' A' ' 877' ' ' ASN . 4.4 tptp -45.5 -43.45 25.02 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 113.892 1.071 . . . . 1.69 113.892 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 32.1 Cg_endo -65.89 68.15 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.006 1.804 . . . . 1.33 113.549 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.525 ' HB ' HD12 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -94.64 177.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.94 110.175 172.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.13 167.16 24.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.401 -0.363 . . . . 1.48 110.451 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.606 HD21 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -54.47 -46.83 73.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.804 0.442 . . . . 1.47 111.774 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.32 -46.25 70.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.796 0.331 . . . . 1.85 110.594 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 19.0 t -60.58 -40.29 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 1.51 110.743 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.525 HD12 ' HB ' ' A' ' 927' ' ' VAL . 0.6 OUTLIER -61.98 -47.33 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.69 110.447 178.185 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.494 ' HD3' HD22 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.564 -0.289 . . . . 2.36 111.421 -178.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.58 -54.03 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 2.76 110.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.7 m -65.52 -42.93 91.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.971 -0.559 . . . . 1.23 111.54 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -64.18 -43.1 96.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.596 -0.274 . . . . 1.41 111.233 -177.659 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 41.6 m -68.46 -31.67 71.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 1.41 110.891 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -43.29 93.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.509 . . . . 1.99 110.4 175.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.97 -39.28 76.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.99 110.948 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.56 91.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 1.22 111.287 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -70.04 -35.69 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.912 -0.315 . . . . 1.87 110.261 178.384 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.554 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 73.3 mtt180 -60.97 -48.73 80.47 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.167 -0.469 . . . . 3.6 110.909 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 7.0 m -72.58 -31.24 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 1.3 110.989 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 4.16 110.857 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 1.7 ptmt -75.5 -29.46 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.775 0.287 . . . . 3.22 111.775 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.2 m -72.97 -47.77 42.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.939 -0.304 . . . . 1.34 111.387 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.66 -20.77 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.535 -0.302 . . . . 4.07 110.814 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 42.2 t0 74.0 -63.11 0.44 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.888 0.743 . . . . 2.64 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.103 -0.951 . . . . 5.37 109.72 175.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 818' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.407 -0.22 . . . . 7.3 110.407 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . 0.46 ' H ' ' HB3' ' A' ' 817' ' ' LYS . . . -87.65 -43.44 11.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.83 0.307 . . . . 5.65 111.83 -173.776 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -115.37 96.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 5.7 111.262 -177.313 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.99 99.59 7.77 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.304 -0.407 . . . . 4.93 110.738 177.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.55 173.19 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.242 -0.435 . . . . 4.74 109.879 176.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -114.73 -56.45 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.676 -0.238 . . . . 5.4 111.152 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.29 50.38 18.49 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.574 0.546 . . . . 5.08 111.242 -177.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -128.6 84.99 2.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.404 0.621 . . . . 3.99 110.782 -176.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.87 130.6 37.81 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 2.4 110.112 175.591 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.8 ' HB2' ' HA ' ' A' ' 869' ' ' ILE . 0.0 OUTLIER -86.12 117.79 25.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 2.38 109.749 -179.56 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 844' ' ' LEU . 18.1 mm -116.55 132.08 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.526 . . . . 1.17 111.196 -175.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 109.98 21.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.717 -0.674 . . . . 1.99 110.231 178.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.631 HG11 ' HG ' ' A' ' 840' ' ' LEU . 0.6 OUTLIER -96.93 105.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.507 0.67 . . . . 1.67 109.705 175.89 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.731 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 50.9 t -109.93 139.72 31.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.68 -0.691 . . . . 1.56 110.641 -178.195 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.48 ' N ' HG13 ' A' ' 830' ' ' VAL . 11.2 t0 -142.89 140.53 31.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.02 -1.104 . . . . 1.3 108.02 167.2 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . 0.477 ' OD1' ' HB3' ' A' ' 878' ' ' MET . 1.3 p30 -72.34 -8.11 53.16 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 123.089 0.243 . . . . 2.03 111.532 -175.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.532 ' HD2' HG22 ' A' ' 835' ' ' ILE . 0.6 OUTLIER -128.29 175.72 3.27 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.589 -0.523 . . . . 2.8 109.589 174.47 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . 0.407 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 6.1 Cg_exo -81.97 -35.38 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.266 1.977 . . . . 1.39 113.84 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.541 HD12 HG23 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -64.28 -47.98 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.349 0.499 . . . . 2.71 112.349 -171.869 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -22.54 42.66 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.243 -0.583 . . . . 2.24 109.684 -178.388 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.473 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.0 ttp180 -61.47 -53.15 60.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.83 -0.623 . . . . 3.21 110.836 175.216 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -32.62 74.22 Favored 'General case' 0 C--O 1.228 -0.034 0 C-N-CA 120.551 -0.46 . . . . 3.24 110.657 179.565 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.52 -52.97 55.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 1.72 110.33 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.631 ' HG ' HG11 ' A' ' 829' ' ' VAL . 17.3 tp -61.55 -41.45 97.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.763 -0.653 . . . . 1.99 111.151 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.6 84.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 1.25 110.96 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.22 -45.14 93.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.993 0.425 . . . . 1.34 109.982 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -48.41 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.634 -0.712 . . . . 2.07 110.864 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.742 HD22 ' HA ' ' A' ' 851' ' ' CYS . 35.8 tp -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.81 111.159 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.08 -38.06 95.96 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.987 -0.551 . . . . 0.56 112.621 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.3 m -70.96 -25.11 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 1.03 110.741 178.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 844' ' ' LEU . 0.1 OUTLIER -75.68 -28.63 58.76 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.167 -0.679 . . . . 2.14 109.167 177.023 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.23 11.51 36.29 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.669 -0.696 . . . . 0.62 113.397 171.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -91.29 172.74 8.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.804 0.302 . . . . 1.67 110.251 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.62 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.4 tt0 -71.78 124.1 24.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.525 -0.307 . . . . 2.92 110.274 179.214 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.742 ' HA ' HD22 ' A' ' 844' ' ' LEU . 0.5 OUTLIER -101.04 104.91 16.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.275 -0.421 . . . . 1.39 111.222 -175.282 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.484 ' HD2' ' HA ' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.13 109.99 21.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.847 -0.427 . . . . 1.95 109.847 175.673 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.39 130.23 37.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.946 0.403 . . . . 1.24 111.893 -175.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.473 ' O ' ' HD2' ' A' ' 837' ' ' ARG . . . -144.87 160.98 40.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 1.15 109.361 175.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.9 OUTLIER -131.44 70.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.192 -0.603 . . . . 2.4 111.697 -175.881 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.619 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.4 t0 161.42 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.539 -1.21 . . . . 1.45 108.447 171.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.599 ' HA3' ' CB ' ' A' ' 886' ' ' LEU . . . -72.85 -40.85 51.29 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.21 -0.995 . . . . 0.66 111.191 177.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 858' ' ' VAL . 0.4 OUTLIER -67.2 -31.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 1.55 110.337 175.84 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.68 -41.18 90.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.84 110.466 177.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.37 95.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.092 -0.504 . . . . 1.2 111.047 177.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -33.23 71.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.1 0.476 . . . . 2.43 110.793 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -44.38 65.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.65 . . . . 2.14 109.484 178.327 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.8 -32.59 58.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.075 -0.966 . . . . 1.53 110.256 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 864' ' ' LEU . 1.3 tm? -66.39 -35.62 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 2.23 110.679 174.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 31.8 m -77.61 -19.07 56.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.297 -0.411 . . . . 0.97 111.507 -177.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -52.97 3.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.966 0.412 . . . . 3.88 111.196 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.23 -173.41 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 1.86 110.111 -176.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -107.63 146.31 32.15 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.925 -0.769 . . . . 3.83 108.925 172.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -154.46 151.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.749 -0.463 . . . . 1.62 109.749 -179.638 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.64 -49.56 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.948 0.404 . . . . 1.64 110.586 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.565 HG21 HD23 ' A' ' 873' ' ' LEU . 7.1 mm -128.17 139.77 50.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.286 -0.416 . . . . 1.68 110.726 -178.245 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.2 126.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.444 -0.344 . . . . 1.3 110.666 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.565 HD23 HG21 ' A' ' 871' ' ' ILE . 0.0 OUTLIER -126.62 122.61 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.984 -0.376 . . . . 1.46 109.984 174.781 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.731 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -117.75 106.72 13.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 1.37 111.183 -178.159 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.779 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -83.41 106.91 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 1.34 109.66 176.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 903' ' ' THR . 0.2 OUTLIER -137.46 118.61 17.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.064 0.394 . . . . 1.82 112.064 -172.636 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.867 HD22 ' HB3' ' A' ' 906' ' ' ALA . 0.5 OUTLIER 178.51 47.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.247 0.832 . . . . 2.99 113.247 169.713 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.655 ' H ' ' HD2' ' A' ' 879' ' ' PRO . 51.1 ttp -97.98 -46.17 0.23 Allowed Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.678 -0.489 . . . . 4.08 109.678 164.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.655 ' HD2' ' H ' ' A' ' 878' ' ' MET . 19.0 Cg_endo -61.76 158.97 35.02 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.939 1.759 . . . . 4.07 111.21 168.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -88.52 -30.68 19.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.021 0.378 . . . . 5.43 112.021 -172.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.07 73.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.471 0.545 . . . . 5.88 112.471 -171.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 883' ' ' GLY . 12.2 t0 -174.07 -164.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 4.99 110.413 171.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' A' ' 882' ' ' ASP . . . 117.44 -8.37 15.51 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.311 -1.116 . . . . 3.04 110.311 -175.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.9 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 6.6 p90 -130.37 -38.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 3.02 111.525 -178.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.66 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.48 -26.71 63.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.772 . . . . 3.74 111.141 -166.166 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.599 ' CB ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -69.63 -28.65 66.09 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.988 0.899 . . . . 2.82 108.851 -172.461 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.7 m -81.0 -27.08 36.0 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.223 -1.353 . . . . 1.55 109.869 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.9 -44.6 78.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.272 0.558 . . . . 2.4 109.632 172.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -64.67 -38.68 91.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 2.86 110.814 176.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 887' ' ' THR . 12.2 mt -62.67 -46.36 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.565 . . . . 2.15 111.573 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.682 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.0 OUTLIER -72.64 -25.79 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.678 0.275 . . . . 2.75 110.911 -178.128 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -42.43 95.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.189 -0.671 . . . . 3.05 109.189 173.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.66 -40.03 73.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.717 . . . . 2.43 110.268 177.119 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.53 44.25 4.04 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.914 -0.66 . . . . 1.12 112.19 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.436 HD22 ' HG ' ' A' ' 864' ' ' LEU . 4.4 mp -55.35 129.86 40.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 3.34 111.045 178.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -93.99 18.78 10.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.731 -0.668 . . . . 2.85 110.927 -176.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.51 149.08 60.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.364 -0.38 . . . . 1.91 110.333 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.65 129.1 23.94 Favored 'Trans proline' 0 C--O 1.241 0.642 0 C-N-CA 122.987 2.458 . . . . 1.09 112.932 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.816 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 11.0 t -109.3 122.32 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.657 -0.702 . . . . 1.31 109.911 177.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.519 HG22 HD12 ' A' ' 923' ' ' LEU . 23.1 mt -113.11 110.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 116.013 -0.54 . . . . 1.28 110.198 179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.25 116.82 4.78 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.901 -0.666 . . . . 0.51 112.449 -177.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.779 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.9 t -87.98 96.84 6.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.842 -0.799 . . . . 1.64 108.842 175.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 876' ' ' VAL . 36.6 p -126.75 137.27 53.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.464 -0.335 . . . . 1.35 110.523 -173.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . 0.451 ' HB1' ' H ' ' A' ' 925' ' ' LYS . . . -142.61 107.83 4.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.78 -0.368 . . . . 1.59 111.784 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 84.83 45.19 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.381 1.05 . . . . 3.03 111.13 176.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.867 ' HB3' HD22 ' A' ' 877' ' ' ASN . . . -100.83 15.27 28.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 2.81 111.071 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.87 86.2 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.686 0.616 . . . . 4.33 111.215 176.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.23 65.67 0.86 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.722 -0.672 . . . . 2.52 110.556 -178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.772 ' HG3' ' HB1' ' A' ' 906' ' ' ALA . 33.9 mp0 -63.82 -27.43 69.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.347 -0.842 . . . . 3.31 110.813 -179.115 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 3.58 110.104 179.041 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 -39.07 64.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 2.7 110.734 179.06 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.9 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -70.67 -27.54 64.11 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.349 -0.54 . . . . 3.07 109.742 178.104 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.724 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -59.74 -43.38 94.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.748 -0.66 . . . . 4.72 110.347 173.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.25 -26.27 67.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 2.18 110.473 174.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.4 mp -71.67 -52.41 18.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.295 0.48 . . . . 2.39 112.295 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.724 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -77.11 -47.73 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 120.09 -0.644 . . . . 3.47 110.608 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 917' ' ' SER . . . . . 0.597 ' HA ' ' NH2' ' A' ' 913' ' ' ARG . 10.4 m 49.07 51.34 16.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.963 1.098 . . . . 1.35 113.963 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.682 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -139.22 12.22 3.29 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.195 -1.002 . . . . 1.02 112.084 171.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.816 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 mtm -87.81 -108.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.465 -0.368 . . . . 2.46 110.843 -172.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.8 t70 159.47 -56.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.464 1.106 . . . . 1.26 109.155 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 921' ' ' SER . . . . . 0.513 ' HB2' HG12 ' A' ' 900' ' ' ILE . 50.7 m -135.47 163.97 28.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 1.26 110.299 -178.042 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 138.93 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 2.14 110.614 -178.184 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.519 HD12 HG22 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -127.87 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.407 . . . . 1.28 109.952 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.516 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.8 OUTLIER -106.45 157.77 17.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.677 -0.238 . . . . 1.11 110.405 179.335 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.579 ' HZ1' ' CG ' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -50.12 -40.97 61.59 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.63 0.974 . . . . 1.69 113.63 -177.463 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 20.7 Cg_exo -68.36 60.1 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.186 1.924 . . . . 1.33 113.308 175.152 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.527 HG13 HG11 ' A' ' 931' ' ' VAL . 0.0 OUTLIER -88.1 98.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.037 0.446 . . . . 1.94 110.283 175.191 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.27 -178.08 6.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.96 -0.564 . . . . 1.48 111.424 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 933' ' ' LYS . 0.7 OUTLIER -57.2 -46.18 83.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.171 -0.468 . . . . 1.47 111.162 -178.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -36.47 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.597 -0.274 . . . . 1.85 111.076 -177.438 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . 0.527 HG11 HG13 ' A' ' 927' ' ' VAL . 61.4 t -62.29 -47.09 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.091 -0.337 . . . . 1.51 110.091 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 933' ' ' LYS . 1.4 tt -67.81 -30.46 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.79 0.328 . . . . 1.69 110.48 177.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.55 ' N ' HG22 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.09 -48.47 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 2.36 111.698 -177.608 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.9 OUTLIER -67.98 -40.68 83.09 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.608 -0.437 . . . . 2.76 110.643 -178.674 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.9 m -60.68 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.825 0.345 . . . . 1.23 110.901 177.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -63.22 -55.85 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 1.41 111.331 -178.836 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 43.4 m -60.01 -44.13 94.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.076 -0.511 . . . . 1.41 112.094 -174.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -70.59 -37.1 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 1.99 111.734 -176.094 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 0.6 OUTLIER -83.16 -30.51 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.494 -0.482 . . . . 1.99 111.611 -177.059 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 936' ' ' LEU . . . -64.04 -37.66 88.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.743 0.306 . . . . 1.22 110.212 176.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.98 -32.58 59.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 1.87 110.114 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.441 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -62.07 -48.84 78.41 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.376 -0.374 . . . . 3.6 110.292 179.43 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 18.7 m -71.59 -30.56 39.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.899 0.38 . . . . 1.3 110.408 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.84 77.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 4.16 111.095 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -26.64 36.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.862 0.319 . . . . 3.22 111.862 -177.12 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 25.2 m -76.37 -50.95 12.89 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.711 -0.396 . . . . 1.34 111.267 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -26.0 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 4.07 111.2 -176.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 24.2 t70 60.29 90.35 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.712 0.633 . . . . 2.64 110.458 -176.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.349 -0.834 . . . . 5.37 110.75 -174.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 817' ' ' LYS . 20.2 mmtt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.641 -0.503 . . . . 7.3 109.641 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -139.82 124.82 18.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 5.65 111.781 -176.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.16 102.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.71 -0.677 . . . . 5.7 109.869 175.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.63 90.39 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.806 0.336 . . . . 4.93 110.934 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -165.33 124.12 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 4.74 110.564 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -158.11 80.78 0.84 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.184 -0.462 . . . . 5.4 110.517 177.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 65.92 0.8 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.577 0.703 . . . . 5.08 109.166 172.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.79 56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.075 -0.966 . . . . 3.99 111.237 -177.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 825' ' ' MET . . . . . 0.521 ' HB3' ' HD2' ' A' ' 849' ' ' TYR . 13.4 ttm -116.82 101.63 8.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 2.4 110.064 177.394 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.559 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 49.2 ttm -86.51 111.12 20.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 2.38 110.862 -178.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.42 HG23 ' HB ' ' A' ' 871' ' ' ILE . 0.2 OUTLIER -106.9 142.96 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.816 -0.629 . . . . 1.17 109.717 177.907 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 872' ' ' VAL . 3.4 mt -94.93 106.57 18.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.591 -0.277 . . . . 1.99 111.144 -178.354 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.462 HG12 HD22 ' A' ' 844' ' ' LEU . 3.0 m -91.17 95.43 5.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.678 0.751 . . . . 1.67 109.617 175.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.675 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 16.6 t -114.06 136.47 50.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.71 -0.677 . . . . 1.56 110.856 -175.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.607 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 2.7 t70 -158.65 131.04 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.884 -0.784 . . . . 1.3 108.884 169.232 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -15.75 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.632 0.605 . . . . 2.03 112.632 -171.249 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 877' ' ' ASN . 0.0 OUTLIER -123.99 92.96 47.76 Favored Pre-proline 0 C--N 1.328 -0.351 0 O-C-N 121.9 -0.5 . . . . 2.8 110.811 178.75 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -21.01 -37.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.991 1 C-N-CA 127.562 5.508 . . . . 1.39 118.971 -168.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . 0.512 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -56.3 -46.54 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 119.0 0.818 . . . . 2.71 112.375 -175.237 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -78.5 -29.5 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.855 -0.528 . . . . 2.24 109.882 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.503 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 1.7 ttp180 -58.07 -50.16 74.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 3.21 111.418 175.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.458 -0.337 . . . . 3.24 110.409 -179.777 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.81 78.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 1.72 110.357 176.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 49.5 tp -66.76 -41.41 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.728 -0.669 . . . . 1.99 110.698 179.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.06 74.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 1.25 110.84 178.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.68 -44.52 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.34 110.421 177.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.538 ' HG3' ' CD2' ' A' ' 929' ' ' LEU . 0.9 OUTLIER -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 2.07 110.649 179.293 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 849' ' ' TYR . 27.8 tp -65.8 -33.92 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.976 0.417 . . . . 1.81 110.608 177.337 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.55 72.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.08 -0.581 . . . . 0.56 111.963 176.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.6 m -82.26 -22.04 35.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.085 0.469 . . . . 1.03 110.094 175.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 847' ' ' LEU . 0.4 OUTLIER -75.45 -33.97 60.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.683 -0.69 . . . . 2.14 109.864 175.054 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 97.02 29.75 7.86 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.512 -0.767 . . . . 0.62 112.178 177.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.637 ' HB2' HD12 ' A' ' 844' ' ' LEU . 57.3 m-85 -116.5 156.48 26.83 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.37 -0.132 . . . . 1.67 110.673 -178.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.559 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 58.4 mt-30 -64.91 120.89 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 2.92 110.561 -177.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.41 ' HB3' HG22 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -107.31 100.45 9.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.043 0.449 . . . . 1.39 110.894 -178.898 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.484 ' HD3' ' HG3' ' A' ' 826' ' ' MET . 0.1 OUTLIER -87.9 113.33 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.403 -0.591 . . . . 1.95 109.403 176.916 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.411 HG21 HG21 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -90.64 128.02 36.48 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.615 0.598 . . . . 1.24 112.615 -170.168 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 830' ' ' VAL . . . -143.19 168.63 19.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.34 -0.846 . . . . 1.15 108.909 174.523 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -141.45 72.73 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.042 -0.663 . . . . 2.4 112.373 -178.638 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 5.6 t70 163.76 157.88 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.932 0.893 . . . . 1.45 109.389 174.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 1.004 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -71.25 -39.61 62.04 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.545 -0.836 . . . . 0.66 111.243 177.349 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 35.2 m -72.84 -30.27 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 1.55 110.148 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.664 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 14.0 t0 -60.2 -42.82 95.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.82 -0.627 . . . . 0.84 110.43 177.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.492 ' O ' HG13 ' A' ' 863' ' ' VAL . . . -65.83 -38.96 90.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 1.2 111.252 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.524 HD23 ' HB3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -69.63 -32.91 71.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.904 0.383 . . . . 2.43 110.423 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -42.19 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 2.14 111.073 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 860' ' ' ALA . 10.2 p -72.71 -31.27 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.52 -0.309 . . . . 1.53 110.233 178.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -45.12 83.13 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.169 -0.469 . . . . 2.23 110.727 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -33.02 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.97 111.389 -177.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -36.72 42.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.449 -0.341 . . . . 3.88 111.637 -176.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -111.5 -124.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.192 -0.299 . . . . 1.86 110.192 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -142.19 -73.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.604 -0.517 . . . . 3.83 109.604 178.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.516 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.5 mp 66.8 144.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.64 0.588 . . . . 1.62 111.003 -177.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.37 -49.62 3.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.043 -0.411 . . . . 1.64 111.038 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.42 ' HB ' HG23 ' A' ' 827' ' ' ILE . 4.8 mt -125.28 137.14 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.524 -0.307 . . . . 1.68 110.288 179.495 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.603 HG23 HD12 ' A' ' 897' ' ' LEU . 46.6 t -114.61 131.09 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.775 -0.193 . . . . 1.3 111.437 -177.402 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 99.2 6.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.16 -0.681 . . . . 1.46 109.16 171.515 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.675 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.8 p -104.1 106.22 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.728 0.299 . . . . 1.37 110.896 -176.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 49.5 t0 -99.72 138.97 36.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 1.34 110.572 178.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.99 132.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.184 -0.462 . . . . 1.82 110.363 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 833' ' ' HIS . 29.2 t-20 -97.83 -48.63 5.11 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.394 -0.595 . . . . 2.99 109.394 177.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 878' ' ' MET . . . . . 0.544 ' SD ' ' HD2' ' A' ' 879' ' ' PRO . 12.7 tpp -57.12 110.63 2.57 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.159 -0.928 . . . . 4.08 111.502 178.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.544 ' HD2' ' SD ' ' A' ' 878' ' ' MET . 94.3 Cg_endo -82.69 -2.24 10.87 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.807 2.338 . . . . 4.07 112.228 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.92 6.51 11.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.479 0.657 . . . . 5.43 110.756 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.59 106.86 3.88 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.584 -0.895 . . . . 5.88 108.584 178.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.779 ' HB2' ' HD1' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -46.35 117.02 1.43 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.306 -0.861 . . . . 4.99 110.422 178.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -68.81 9.47 1.92 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.679 -0.691 . . . . 3.04 113.698 -173.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.779 ' HD1' ' HB2' ' A' ' 882' ' ' ASP . 2.9 p90 -96.29 -37.94 10.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.494 0.664 . . . . 3.02 110.925 175.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -59.39 -26.84 65.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.68 0.752 . . . . 3.74 111.803 -164.233 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 1.004 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -79.26 -24.57 42.9 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.613 -0.884 . . . . 2.82 108.613 -171.352 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.653 ' HA ' HD12 ' A' ' 890' ' ' ILE . 17.3 m -73.48 -28.82 62.14 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.065 -1.425 . . . . 1.55 109.268 175.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.622 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 3.2 tp-100 -59.84 -41.96 92.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.412 -0.813 . . . . 2.4 109.093 173.429 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.524 ' HB3' HD23 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -61.26 -36.43 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.499 -0.773 . . . . 2.86 110.653 174.734 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 887' ' ' THR . 88.1 mt -65.25 -37.97 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.324 -0.398 . . . . 2.15 110.978 176.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.431 ' NH2' HE22 ' A' ' 888' ' ' GLN . 0.0 OUTLIER -64.19 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 2.75 110.686 178.501 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -80.42 -29.99 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.773 -0.649 . . . . 3.05 110.241 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -46.53 74.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.609 -0.723 . . . . 2.43 109.972 176.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 124.6 78.14 0.34 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.962 -0.637 . . . . 1.12 111.758 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.655 HD23 ' HA2' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -78.91 136.12 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.258 0.552 . . . . 3.34 111.03 -178.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.92 29.04 0.91 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.547 -0.752 . . . . 2.85 109.25 172.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.603 HD12 HG23 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -145.27 153.79 52.87 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.836 -1.074 . . . . 1.91 109.502 -176.589 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.42 117.34 5.0 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.833 2.355 . . . . 1.09 112.676 -178.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.824 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -111.16 122.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.389 0.614 . . . . 1.31 110.562 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.46 111.45 36.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.856 -0.611 . . . . 1.28 109.771 177.201 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.44 108.59 3.69 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.698 -0.763 . . . . 0.51 112.702 -175.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 2.9 t -80.46 120.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.761 -0.829 . . . . 1.64 108.761 174.558 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.7 p -136.48 151.87 49.93 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.29 -0.564 . . . . 1.35 111.951 -172.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -79.34 165.07 23.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 1.59 109.407 171.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.85 -74.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.522 0.514 . . . . 3.03 110.295 -177.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 54.59 43.88 29.55 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.991 0.516 . . . . 2.81 112.066 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 2.0 mp -98.29 -41.18 7.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.443 . . . . 4.33 110.142 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -111.47 47.16 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.656 . . . . 2.52 110.204 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -39.06 78.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 3.31 110.814 -177.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.23 -42.15 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.054 0.454 . . . . 3.58 109.882 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -42.16 89.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.556 -0.747 . . . . 2.7 110.971 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.734 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 5.0 mt-30 -72.58 -35.31 67.89 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.299 -0.56 . . . . 3.07 111.07 -177.05 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.759 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 2.1 ttp-105 -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.367 . . . . 4.72 110.93 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 28.4 m -74.75 -28.01 60.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.138 0.494 . . . . 2.18 109.81 174.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.647 ' HB3' ' CE2' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -72.2 -52.88 14.47 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.665 -0.698 . . . . 2.39 112.329 -178.605 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.759 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -78.65 -37.7 41.35 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.006 -0.678 . . . . 3.47 110.467 -178.025 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 47.74 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.901 0.75 . . . . 1.35 112.373 177.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . 0.655 ' HA2' HD23 ' A' ' 895' ' ' LEU . . . -144.7 11.91 1.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.106 -1.045 . . . . 1.02 112.635 176.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.824 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -100.22 -116.21 0.16 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.081 0.467 . . . . 2.46 111.652 -173.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.495 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.9 t70 172.49 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.14 -1.43 . . . . 1.26 107.14 -178.049 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 5.5 m -148.66 159.77 43.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.111 -0.949 . . . . 1.26 109.854 176.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.419 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 62.4 m -114.73 150.59 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.664 0.269 . . . . 2.14 110.603 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 5.9 mt -131.37 167.72 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.856 -0.424 . . . . 1.28 109.856 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.99 143.81 25.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.437 -0.347 . . . . 1.11 110.309 178.558 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.623 ' HZ3' ' CG ' ' A' ' 875' ' ' ASP . 2.4 tttp -48.54 -50.16 60.33 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 113.437 0.903 . . . . 1.69 113.437 -178.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.0 Cg_exo -75.34 58.6 5.16 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.339 2.026 . . . . 1.33 113.313 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -73.02 146.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 1.94 110.603 175.414 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.18 179.85 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 1.48 111.263 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.538 ' CD2' ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -62.56 -47.98 81.47 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.686 0.279 . . . . 1.47 111.714 -172.462 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.23 -41.95 63.16 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.846 -0.342 . . . . 1.85 110.429 -175.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.14 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.939 -0.573 . . . . 1.51 110.539 177.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.48 HG23 HD23 ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.82 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 1.69 110.146 176.754 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -48.21 76.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 2.36 111.846 -178.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -48.83 80.04 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.952 0.406 . . . . 2.76 110.556 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 4.1 m -63.05 -45.52 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.988 -0.551 . . . . 1.23 111.749 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -65.41 -46.19 80.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.717 -0.22 . . . . 1.41 111.134 -178.418 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 48.2 m -62.97 -42.04 99.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.408 -0.36 . . . . 1.41 111.041 -178.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 1.99 111.263 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 942' ' ' ARG . 7.9 m-85 -78.31 -34.11 48.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 1.99 111.063 -178.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -62.72 -42.92 99.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 1.22 110.513 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.64 -24.55 58.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.441 -0.345 . . . . 1.87 110.373 177.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -67.06 -47.97 69.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 3.6 110.241 177.555 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 940' ' ' ALA . 22.8 m -73.25 -30.81 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 1.3 110.226 178.377 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -63.94 -46.9 82.65 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.142 -0.481 . . . . 4.16 110.688 177.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -72.33 -24.74 61.35 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.135 -0.226 . . . . 3.22 111.303 -179.121 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.7 m -81.51 -23.69 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 1.34 111.512 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -94.47 -47.06 6.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 4.07 111.088 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.61 81.57 5.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.634 . . . . 2.64 110.813 -177.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 5.37 110.087 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.156 -0.313 . . . . 7.3 110.156 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -147.34 153.72 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.382 . . . . 5.65 110.429 178.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.89 133.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.08 -0.509 . . . . 5.7 110.112 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 3.6 m -101.01 153.98 19.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.471 -0.331 . . . . 4.93 110.12 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.19 -167.56 1.62 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.374 -0.375 . . . . 4.74 110.853 -174.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . 0.425 HD21 ' HA ' ' A' ' 822' ' ' ASN . 0.1 OUTLIER 74.77 93.75 0.07 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.19 -0.914 . . . . 5.4 112.769 170.846 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.19 63.46 7.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.261 -1.014 . . . . 5.08 108.261 167.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.5 59.76 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.478 -1.237 . . . . 3.99 112.038 -169.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 104.93 10.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.054 -0.721 . . . . 2.4 109.054 172.759 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.893 ' HG2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.14 114.34 26.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.166 0.508 . . . . 2.38 111.189 -172.798 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.541 HG23 HD12 ' A' ' 827' ' ' ILE . 1.4 mm -112.41 131.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.032 -0.531 . . . . 1.17 110.53 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 860' ' ' ALA . 11.3 tp -102.17 118.42 36.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.986 -0.552 . . . . 1.99 110.117 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -112.51 116.99 54.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 1.67 110.233 -176.847 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.956 HG12 ' HB3' ' A' ' 854' ' ' ALA . 7.5 m -123.08 140.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.836 -0.346 . . . . 1.56 110.643 176.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.536 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 7.8 t70 -143.99 131.76 21.37 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 1.3 108.885 169.459 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -74.88 21.06 0.12 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.47 0.652 . . . . 2.03 111.834 -178.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . 0.645 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 6.9 m80 -140.9 161.86 51.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.411 -0.959 . . . . 2.8 108.411 179.133 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.87 -27.91 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.176 1.918 . . . . 1.39 112.733 177.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -48.87 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.127 0.417 . . . . 2.71 112.127 -173.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -26.37 29.34 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.415 -0.514 . . . . 2.24 110.215 -177.068 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.645 ' HB2' ' O ' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -53.73 -47.72 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.3 0.571 . . . . 3.21 109.754 171.574 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.561 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.86 -49.97 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.215 -0.902 . . . . 3.24 110.692 178.105 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.561 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -69.89 -40.56 75.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.92 -0.582 . . . . 1.72 112.263 -169.507 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 829' ' ' VAL . 27.4 tp -71.16 -36.21 71.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.994 -0.548 . . . . 1.99 110.254 -179.36 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 1.25 110.155 174.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.7 -56.21 24.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.449 -0.796 . . . . 1.34 110.009 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.648 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.88 -38.03 89.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 2.07 111.298 -178.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.469 HD23 ' HB ' ' A' ' 827' ' ' ILE . 36.9 tp -65.39 -33.94 77.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 1.81 110.43 177.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.56 -38.46 94.73 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.903 -0.665 . . . . 0.56 111.701 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.2 m -69.33 -29.42 67.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 1.03 110.732 177.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -30.67 71.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.276 0.56 . . . . 2.14 110.424 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.27 32.02 15.13 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.62 112.337 177.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -113.83 164.9 13.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.219 -0.289 . . . . 1.67 110.219 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 118.09 10.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.501 -0.318 . . . . 2.92 110.231 178.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.401 ' HA ' HD22 ' A' ' 844' ' ' LEU . 2.3 m -100.56 118.49 36.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.76 0.314 . . . . 1.39 111.375 -176.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 110.9 16.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.2 -0.667 . . . . 1.95 109.2 174.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 829' ' ' VAL . 0.2 OUTLIER -96.52 142.12 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.514 0.673 . . . . 1.24 112.734 -172.619 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.956 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -149.99 -168.3 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.875 -1.057 . . . . 1.15 108.563 174.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 18.1 p-10 -157.06 73.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.15 -0.62 . . . . 2.4 111.164 -176.058 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.991 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 11.6 t0 163.43 148.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.078 -0.965 . . . . 1.45 109.019 177.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.432 ' H ' HD22 ' A' ' 886' ' ' LEU . . . -73.24 -38.36 54.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.626 -0.797 . . . . 0.66 111.783 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.956 ' HA ' HD22 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.97 -31.69 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.182 -0.303 . . . . 1.55 110.182 177.761 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.991 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.2 OUTLIER -67.17 -27.64 67.46 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.84 110.181 175.748 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.451 ' HA ' HD23 ' A' ' 828' ' ' LEU . . . -62.0 -52.57 63.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.705 -0.68 . . . . 1.2 110.665 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.956 HD22 ' HA ' ' A' ' 858' ' ' VAL . 1.2 pp -72.73 -28.05 62.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 2.43 110.691 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.16 -44.46 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 2.14 109.767 173.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -32.76 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.539 -0.755 . . . . 1.53 110.322 177.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.484 HD23 ' HB ' ' A' ' 869' ' ' ILE . 0.3 OUTLIER -63.7 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 2.23 110.582 176.461 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 1.3 m -80.92 -19.15 44.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.157 0.503 . . . . 0.97 110.654 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -77.88 -48.38 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 3.88 110.495 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -128.97 -104.84 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 1.86 110.127 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -178.14 144.9 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.261 -0.644 . . . . 3.83 109.261 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.893 HG13 ' HG2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -150.84 148.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.362 -0.607 . . . . 1.62 109.362 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.504 ' N ' HG23 ' A' ' 869' ' ' ILE . 10.6 m-20 -91.26 -46.37 8.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.64 111.055 -175.57 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.482 ' HB ' HG23 ' A' ' 827' ' ' ILE . 11.8 mm -120.56 125.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.227 -0.442 . . . . 1.68 110.486 -179.133 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 869' ' ' ILE . 75.8 t -108.36 132.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.796 -0.184 . . . . 1.3 110.983 -178.543 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -127.23 113.84 16.86 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.093 -0.336 . . . . 1.46 110.093 174.5 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.737 ' HA ' ' CG2' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -107.6 101.67 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 1.37 111.301 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.771 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 39.2 t0 -81.62 108.72 15.41 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.498 0.666 . . . . 1.34 110.682 178.476 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.15 122.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.028 -0.987 . . . . 1.82 111.233 -175.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.552 ' HB3' ' CE1' ' A' ' 833' ' ' HIS . 8.1 t-20 -147.01 101.81 3.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.52 -0.764 . . . . 2.99 108.949 175.337 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 36.2 ttm -150.04 139.33 13.08 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 115.426 -0.806 . . . . 4.08 109.359 -175.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -44.06 -54.23 4.03 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.268 2.645 . . . . 4.07 112.552 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.13 92.67 5.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.876 -0.787 . . . . 5.43 108.876 170.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.484 ' HG3' ' HA ' ' A' ' 906' ' ' ALA . 0.0 OUTLIER -75.92 70.58 2.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.023 -0.535 . . . . 5.88 111.83 -173.259 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.5 22.83 7.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.419 0.628 . . . . 4.99 109.537 174.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 886' ' ' LEU . . . -60.04 -35.04 86.13 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-N 115.308 -0.86 . . . . 3.04 112.644 -178.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.675 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 25.1 p90 -61.06 -45.78 93.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.902 0.858 . . . . 3.02 110.204 175.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.549 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.23 -24.64 28.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.16 0.981 . . . . 3.74 110.09 -174.478 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -62.66 -35.68 80.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.682 -1.145 . . . . 2.82 108.598 -175.768 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.708 ' HA ' HD11 ' A' ' 890' ' ' ILE . 54.2 m -76.23 -27.02 56.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.469 -1.696 . . . . 1.55 109.502 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 23.7 tp60 -58.92 -36.37 74.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 2.4 109.542 174.493 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.471 ' O ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -66.94 -38.8 86.81 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.396 -0.365 . . . . 2.86 110.099 174.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 887' ' ' THR . 8.9 mt -55.22 -48.47 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.211 -0.449 . . . . 2.15 110.703 175.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -65.44 -38.89 91.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 2.75 110.446 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -42.57 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 3.05 110.785 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . 0.441 ' HB3' HD11 ' A' ' 895' ' ' LEU . 1.9 tt -71.5 -47.71 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 2.43 110.092 177.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.52 24.09 2.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.478 -0.867 . . . . 1.12 112.559 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.583 HD13 ' HB2' ' A' ' 861' ' ' LEU . 0.9 OUTLIER -83.69 120.87 26.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 3.34 109.875 178.534 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.9 t -115.57 9.72 15.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.353 0.597 . . . . 2.85 110.937 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.49 ' HB2' ' HD2' ' A' ' 898' ' ' PRO . 0.4 OUTLIER -72.66 159.0 86.44 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.91 110.195 179.349 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 897' ' ' LEU . 18.5 Cg_endo -59.76 104.88 0.24 Allowed 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.811 2.341 . . . . 1.09 113.038 -177.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.802 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 43.1 t -105.16 115.69 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.993 -0.549 . . . . 1.31 110.169 175.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 2.0 mt -106.38 110.35 31.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.995 -0.548 . . . . 1.28 109.826 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -88.45 122.33 6.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.608 -0.806 . . . . 0.51 112.259 -177.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.771 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 3.0 t -82.6 94.04 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.497 -0.927 . . . . 1.64 108.497 174.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 16.8 p -101.91 124.47 47.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.001 -0.545 . . . . 1.35 111.748 -171.02 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -103.9 105.35 15.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 1.59 110.067 174.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 56.91 70.03 0.69 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.857 0.723 . . . . 3.03 111.563 -178.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 903' ' ' THR . . . -104.49 27.95 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 2.81 110.072 176.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.471 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.1 OUTLIER 57.63 -110.8 0.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 4.33 110.342 -175.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.471 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -101.91 92.67 4.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.744 -0.465 . . . . 2.52 109.744 175.582 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.55 83.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 3.31 111.816 -174.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -36.24 74.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 3.58 110.902 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.464 ' HE2' HD11 ' A' ' 915' ' ' LEU . 2.8 tttt -71.57 -39.56 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.337 -0.392 . . . . 2.7 110.442 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.675 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.6 mp0 -69.88 -29.61 66.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.585 -0.524 . . . . 3.07 109.585 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.502 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 11.4 mtm-85 -68.33 -26.37 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 4.72 110.548 176.01 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -72.99 -29.09 62.78 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.647 -0.501 . . . . 2.18 109.647 172.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.464 HD11 ' HE2' ' A' ' 911' ' ' LYS . 41.6 mt -73.13 -54.28 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 2.39 112.18 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.31 -43.9 22.68 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 3.47 111.321 -178.107 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 40.0 m 51.14 51.96 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.604 0.964 . . . . 1.35 113.604 175.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -146.11 11.82 1.62 Allowed Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.301 -0.952 . . . . 1.02 111.889 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.802 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.2 OUTLIER -91.83 -117.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.036 0.446 . . . . 2.46 111.471 -173.51 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.451 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.1 t70 172.61 -57.92 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.482 -0.781 . . . . 1.26 109.056 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 43.1 m -148.65 156.54 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.213 -0.903 . . . . 1.26 110.251 -177.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.445 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 98.4 m -125.73 134.39 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.837 0.351 . . . . 2.14 110.696 178.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.418 HD12 HG23 ' A' ' 900' ' ' ILE . 19.1 mt -118.33 -178.26 3.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.546 . . . . 1.28 109.549 177.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 6.7 m -106.14 155.24 19.64 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.061 -0.348 . . . . 1.11 110.061 176.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.547 ' HA ' HG11 ' A' ' 902' ' ' VAL . 19.0 tttp -53.03 -47.88 94.01 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.078 0.77 . . . . 1.69 113.078 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 60.0 Cg_endo -72.6 66.13 3.8 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.0 1.8 . . . . 1.33 113.012 177.158 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.416 ' HB ' HD11 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -79.04 116.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.198 0.523 . . . . 1.94 110.319 176.851 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.06 166.12 17.97 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.836 -0.62 . . . . 1.48 110.531 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.648 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -58.68 -37.75 76.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.97 0.415 . . . . 1.47 110.071 177.324 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.71 -56.96 15.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.593 -0.731 . . . . 1.85 110.292 -178.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 46.5 t -60.9 -46.19 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.475 -0.784 . . . . 1.51 110.956 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.631 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 5.4 mt -57.73 -43.62 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 1.69 111.095 -178.148 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -48.25 70.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.793 0.294 . . . . 2.36 111.793 -176.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -41.97 88.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 2.76 111.202 -176.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.9 m -72.89 -41.99 64.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.599 0.222 . . . . 1.23 111.599 -178.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.631 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -67.07 -49.04 66.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.471 0.177 . . . . 1.41 110.799 -176.833 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 6.6 m -65.55 -36.45 83.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.508 -0.314 . . . . 1.41 111.038 -178.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.57 -41.79 98.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.804 0.335 . . . . 1.99 110.793 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -82.93 -28.63 29.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.441 -0.345 . . . . 1.99 111.265 -177.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 943' ' ' VAL . . . -66.95 -43.03 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.526 -0.546 . . . . 1.22 109.526 174.623 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.98 76.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.87 109.421 174.09 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -59.49 -47.59 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 3.6 110.916 -178.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 940' ' ' ALA . 2.5 m -74.85 -33.63 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.859 -0.337 . . . . 1.3 110.747 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.93 98.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 4.16 110.811 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -18.76 37.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.633 0.254 . . . . 3.22 110.985 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 31.2 m -65.72 -33.38 75.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.138 0.494 . . . . 1.34 109.85 175.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.15 -45.51 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 4.07 109.855 172.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 5.4 t70 67.95 -89.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.939 -1.028 . . . . 2.64 111.182 -178.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.731 -0.652 . . . . 5.37 109.979 -179.352 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.647 0.261 . . . . 7.3 111.054 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -151.76 83.7 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 5.65 110.465 178.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 10.0 p -155.76 143.9 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.401 -0.363 . . . . 5.7 110.754 -178.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 12.9 m -113.87 136.73 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.429 -0.582 . . . . 4.93 109.429 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -130.82 134.22 46.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.631 -0.259 . . . . 4.74 111.295 -172.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -165.92 81.08 0.29 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.35 0.595 . . . . 5.4 111.717 178.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.9 52.03 2.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.773 0.797 . . . . 5.08 109.582 172.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.46 61.3 6.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.046 -0.979 . . . . 3.99 111.674 -171.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.06 95.35 4.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 2.4 110.306 177.274 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.426 ' O ' HG21 ' A' ' 869' ' ' ILE . 0.8 OUTLIER -83.54 121.54 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 2.38 110.659 179.232 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.798 ' HB ' HD22 ' A' ' 844' ' ' LEU . 1.5 mm -118.57 143.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 1.17 109.947 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.727 HD11 HG21 ' A' ' 872' ' ' VAL . 0.8 OUTLIER -99.51 103.8 15.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.381 -0.372 . . . . 1.99 110.76 -178.756 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.765 HG13 HD23 ' A' ' 844' ' ' LEU . 1.1 m -88.54 95.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.711 0.767 . . . . 1.67 109.648 175.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.0 t -106.75 131.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.38 -0.827 . . . . 1.56 109.857 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.582 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 0.8 OUTLIER -157.07 135.32 11.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.033 -0.358 . . . . 1.3 110.033 171.883 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -4.3 58.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.114 -0.494 . . . . 2.03 112.197 -174.126 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -118.86 85.28 27.92 Favored Pre-proline 0 N--CA 1.465 0.29 0 O-C-N 122.042 -0.412 . . . . 2.8 110.791 179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -22.43 -49.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 126.506 4.804 . . . . 1.39 117.561 -168.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -36.67 48.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 118.242 0.474 . . . . 2.71 111.74 -177.331 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -44.44 61.02 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.747 -0.464 . . . . 2.24 109.747 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . 0.642 ' HD3' HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -53.97 -40.84 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.006 0.522 . . . . 3.21 110.908 175.489 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.82 -51.35 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 3.24 110.485 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -78.09 -25.45 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.852 -0.613 . . . . 1.72 111.072 -173.769 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.69 -43.44 65.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.563 -0.744 . . . . 1.99 109.951 178.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.56 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.872 -0.603 . . . . 1.25 110.114 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.83 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 1.34 109.772 175.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.634 ' HG2' HG23 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -58.78 -47.95 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 2.07 110.858 178.129 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.798 HD22 ' HB ' ' A' ' 827' ' ' ILE . 16.1 tp -61.78 -37.55 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 1.81 111.229 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -27.01 72.43 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.009 -0.615 . . . . 0.56 112.02 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.7 m -77.02 -25.08 52.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 1.03 110.158 176.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 849' ' ' TYR . 4.0 mt -77.81 -24.36 48.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 2.14 110.373 176.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 88.37 21.14 45.86 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.828 -0.701 . . . . 0.62 112.759 177.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 847' ' ' LEU . 18.7 m-85 -105.41 171.11 7.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.764 0.316 . . . . 1.67 110.437 179.245 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.63 118.66 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 2.92 110.748 -178.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . 0.563 ' HA ' HD21 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.51 99.81 11.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.4 . . . . 1.39 111.211 -179.45 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -89.02 122.33 32.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.307 -0.627 . . . . 1.95 109.307 175.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.642 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.45 137.72 32.13 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 1.24 112.567 -171.217 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.535 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -155.67 168.3 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.178 -0.675 . . . . 1.15 109.178 173.714 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.584 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 8.1 p-10 -151.46 73.18 1.07 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.025 -0.67 . . . . 2.4 112.782 -177.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 31.3 t70 163.73 157.73 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.663 0.785 . . . . 1.45 109.518 173.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.45 -50.07 57.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.86 . . . . 0.66 111.944 178.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -74.0 -28.5 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.768 0.318 . . . . 1.55 110.763 179.377 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.729 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 27.6 t0 -57.08 -34.41 68.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.352 -0.386 . . . . 0.84 110.527 176.358 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.73 -33.63 70.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 1.2 110.699 177.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 858' ' ' VAL . 7.4 mp -71.07 -41.08 71.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 2.43 110.246 178.426 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -51.93 67.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.484 -0.78 . . . . 2.14 110.557 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.456 HG12 HD13 ' A' ' 828' ' ' LEU . 7.7 p -69.38 -32.34 52.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.389 -0.369 . . . . 1.53 110.934 -179.503 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 0.595 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -64.03 -38.02 89.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.16 0.505 . . . . 2.23 111.079 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.1 m -72.6 -30.51 64.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.97 110.856 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -38.84 47.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 3.88 110.924 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -145.29 130.44 18.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.623 -0.51 . . . . 1.86 109.623 178.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 84.1 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.121 0.486 . . . . 3.83 111.702 -174.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.571 HD13 ' HG ' ' A' ' 828' ' ' LEU . 2.8 mp -68.64 147.6 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.153 -0.93 . . . . 1.62 109.871 171.351 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.86 -52.81 5.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.974 0.416 . . . . 1.64 111.796 -174.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.421 HD12 ' HB3' ' A' ' 939' ' ' TYR . 18.9 mm -108.49 121.49 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.592 -0.276 . . . . 1.68 110.425 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.727 HG21 HD11 ' A' ' 828' ' ' LEU . 13.2 t -110.13 132.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.887 -0.325 . . . . 1.3 110.862 -178.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.868 HD21 HD11 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -130.33 111.16 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.79 -0.448 . . . . 1.46 109.79 173.12 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.572 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -102.49 102.66 12.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.37 111.201 -176.383 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 50.4 t0 -89.16 120.84 30.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.703 -0.68 . . . . 1.34 110.052 176.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.15 125.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 1.82 110.857 -176.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.948 ' HB2' ' HE2' ' A' ' 925' ' ' LYS . 32.1 t30 -105.38 -30.31 9.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.797 -0.816 . . . . 2.99 108.797 178.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.66 83.14 21.3 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.672 -1.149 . . . . 4.08 110.696 179.629 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.453 ' HB2' ' H ' ' A' ' 880' ' ' ASN . 1.9 Cg_endo -82.57 -118.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.884 2.389 . . . . 4.07 111.396 178.404 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . 0.489 ' HB3' ' H ' ' A' ' 881' ' ' MET . 31.1 t30 -172.77 -99.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.509 -0.552 . . . . 5.43 109.509 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.489 ' H ' ' HB3' ' A' ' 880' ' ' ASN . 0.0 OUTLIER -91.33 90.15 7.59 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.82 -0.437 . . . . 5.88 109.82 177.602 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 72.63 -48.79 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.599 0.76 . . . . 4.99 111.745 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.84 15.23 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.462 -0.875 . . . . 3.04 113.605 175.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.744 ' HB3' ' HG3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER -64.82 -34.84 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.668 1.223 . . . . 3.02 112.013 -178.788 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.698 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.46 -26.19 68.61 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.323 -0.853 . . . . 3.74 112.95 -158.109 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -70.12 -31.0 68.33 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.329 1.061 . . . . 2.82 108.355 -169.184 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.774 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 2.9 m -79.23 -26.83 42.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.815 -1.538 . . . . 1.55 109.182 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -60.79 -45.82 92.9 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.586 -0.734 . . . . 2.4 109.808 177.004 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.03 83.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.44 -0.8 . . . . 2.86 110.371 175.241 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 887' ' ' THR . 71.4 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.881 0.372 . . . . 2.15 111.076 175.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 2.75 110.67 178.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -61.3 -36.06 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 3.05 110.485 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -38.49 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 2.43 110.805 177.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 87.71 56.01 2.19 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.853 -0.899 . . . . 1.12 110.853 -172.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.95 134.99 5.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.276 0.631 . . . . 3.34 112.464 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.22 22.9 13.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.546 -0.752 . . . . 2.85 110.278 176.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 864' ' ' LEU . 0.4 OUTLIER -157.93 156.23 27.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 1.91 109.937 -175.633 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.731 ' HB2' ' HE2' ' A' ' 939' ' ' TYR . 3.1 Cg_exo -75.92 138.33 20.75 Favored 'Trans proline' 0 C--O 1.244 0.778 0 C-N-CA 122.962 2.441 . . . . 1.09 112.813 -177.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.724 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 41.6 t -116.12 125.77 73.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.794 -0.639 . . . . 1.31 111.52 -178.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.868 HD11 HD21 ' A' ' 873' ' ' LEU . 0.8 OUTLIER -103.55 108.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.72 . . . . 1.28 109.646 175.1 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.96 109.75 3.47 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.409 -0.9 . . . . 0.51 112.18 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.7 OUTLIER -90.33 94.81 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.774 -0.824 . . . . 1.64 108.774 176.048 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 903' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.8 OUTLIER -102.21 138.59 38.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.166 -0.47 . . . . 1.35 111.736 -172.214 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -89.68 104.26 16.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 1.59 110.539 176.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 24.3 t30 55.13 49.39 17.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.375 -0.829 . . . . 3.03 112.276 176.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -92.29 83.68 5.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 2.81 109.777 176.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 132.25 27.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.837 -0.62 . . . . 4.33 111.096 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 61.83 56.52 2.37 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.815 -0.63 . . . . 2.52 110.613 -177.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -38.07 76.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.719 -0.673 . . . . 3.31 110.657 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 910' ' ' GLU . 2.4 pm0 -62.15 -30.95 71.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 3.58 110.575 179.11 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -77.65 -30.8 52.32 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.474 -0.33 . . . . 2.7 110.761 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.744 ' HG3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -66.82 -40.57 88.09 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.312 -1.366 . . . . 3.07 107.312 172.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.657 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 5.4 ttp180 -58.25 -30.24 66.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.552 -0.749 . . . . 4.72 111.501 178.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 59.0 m -68.34 -39.75 81.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 2.18 110.233 173.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 915' ' ' LEU . 0.2 OUTLIER -72.97 -54.5 8.46 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.444 0.535 . . . . 2.39 112.444 -177.849 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.774 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.89 -46.06 17.49 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.339 -0.144 . . . . 3.47 111.387 -175.941 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 36.4 m 51.56 52.18 15.21 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.465 0.913 . . . . 1.35 113.465 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -142.96 24.38 2.26 Favored Glycine 0 C--O 1.227 -0.323 0 C-N-CA 120.198 -1.001 . . . . 1.02 112.581 176.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.724 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 ttm -107.06 -118.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.528 0.204 . . . . 2.46 111.443 -174.125 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 919' ' ' MET . 26.2 t0 166.65 -56.87 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.044 0.938 . . . . 1.26 108.853 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 1.3 m -138.04 157.1 47.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.47 -0.786 . . . . 1.26 110.059 177.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.54 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 39.2 m -127.86 144.32 51.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 2.14 110.981 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.01 -175.51 4.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.732 -0.84 . . . . 1.28 108.732 176.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 924' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 903' ' ' THR . 75.2 m -120.75 160.24 23.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.358 -0.238 . . . . 1.11 110.358 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.948 ' HE2' ' HB2' ' A' ' 877' ' ' ASN . 1.3 tttp -44.94 -47.29 30.1 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.225 0.824 . . . . 1.69 113.225 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 23.4 Cg_exo -66.92 72.44 0.47 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.314 2.009 . . . . 1.33 112.744 175.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.75 155.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 1.94 110.062 174.278 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.16 171.13 14.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.204 . . . . 1.48 110.877 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.621 HD21 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -57.93 -46.89 84.33 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.56 0.344 . . . . 1.47 111.803 -175.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.61 -41.22 79.87 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.886 -0.326 . . . . 1.85 110.802 -177.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.08 -45.02 99.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 1.51 110.483 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.634 HG23 ' HG2' ' A' ' 843' ' ' GLN . 2.2 tt -67.17 -32.1 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.887 -0.597 . . . . 1.69 110.527 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.527 ' HB3' ' HE2' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -65.95 -41.19 91.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 2.36 109.962 177.488 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -60.97 -45.1 96.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 2.76 110.615 179.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -44.95 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.23 110.978 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 932' ' ' ILE . 0.7 OUTLIER -58.56 -52.28 66.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 1.41 111.138 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 58.0 m -61.61 -43.55 98.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.988 -0.551 . . . . 1.41 111.359 -178.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -45.14 88.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 1.99 110.958 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.731 ' HE2' ' HB2' ' A' ' 898' ' ' PRO . 6.1 m-85 -69.76 -53.14 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 1.99 111.322 -176.648 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -56.65 -41.92 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 1.22 111.016 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.01 -48.43 76.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.342 -0.39 . . . . 1.87 110.853 178.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 942' ' ' ARG . 5.5 ptm180 -65.46 -36.48 84.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 3.6 111.587 -173.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 26.4 m -77.03 -31.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.514 -0.474 . . . . 1.3 110.429 179.028 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -49.77 60.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.213 -0.449 . . . . 4.16 110.764 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.09 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 3.22 111.443 -175.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -76.02 -51.62 11.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.874 -0.33 . . . . 1.34 110.99 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -65.71 -43.18 89.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 4.07 111.188 -176.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.14 72.92 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.159 0.504 . . . . 2.64 110.215 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.666 -0.697 . . . . 5.37 110.145 178.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 16.5 mttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.619 0.247 . . . . 7.3 110.527 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -110.13 70.82 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.104 0.478 . . . . 5.65 110.731 -178.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.87 5.46 7.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.009 -0.541 . . . . 5.7 110.317 179.088 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.86 92.4 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.0 -0.545 . . . . 4.93 110.492 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.91 125.07 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.071 -0.513 . . . . 4.74 110.631 -178.41 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 822' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 824' ' ' ASP . 0.3 OUTLIER -174.79 56.89 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.374 -0.83 . . . . 5.4 109.385 172.513 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.61 41.5 0.64 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.107 -0.951 . . . . 5.08 109.571 173.456 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 822' ' ' ASN . 14.2 t0 -85.06 47.78 1.46 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.949 -1.023 . . . . 3.99 110.943 -174.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.05 91.77 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.822 -0.626 . . . . 2.4 109.551 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 826' ' ' MET . . . . . 0.525 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -101.93 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 2.38 110.562 -178.333 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 827' ' ' ILE . . . . . 0.478 ' HB ' HD22 ' A' ' 844' ' ' LEU . 1.6 mm -110.01 141.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.015 -0.993 . . . . 1.17 109.747 -179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 872' ' ' VAL . 1.1 mt -94.74 111.74 23.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.328 -0.397 . . . . 1.99 110.806 -179.119 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.489 ' H ' HG11 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -97.98 104.21 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.981 -0.748 . . . . 1.67 108.981 175.154 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 830' ' ' VAL . . . . . 0.823 HG23 ' HB2' ' A' ' 860' ' ' ALA . 0.7 OUTLIER -119.84 89.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.548 -0.751 . . . . 1.56 111.347 -172.127 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.664 ' OD2' ' HB2' ' A' ' 836' ' ' ASN . 9.3 t0 -111.88 134.4 53.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.362 -0.535 . . . . 1.3 110.23 -178.425 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 832' ' ' ASP . . . . . 0.612 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -68.85 -29.81 68.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.536 -0.756 . . . . 2.03 111.34 -178.901 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.62 122.77 40.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 2.8 110.833 -176.371 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -47.72 -40.88 31.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.819 3.013 . . . . 1.39 114.083 -175.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -47.06 95.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.646 0.26 . . . . 2.71 111.662 -175.185 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 836' ' ' ASN . . . . . 0.664 ' HB2' ' OD2' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -82.51 -22.23 35.16 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.537 -0.465 . . . . 2.24 110.191 -178.247 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.12 -52.17 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 3.21 110.433 176.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -32.94 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 3.24 110.902 -179.213 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -38.81 75.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 1.72 111.224 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 25.9 tp -70.94 -37.6 72.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.083 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.66 71.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 1.25 110.111 175.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.79 -45.43 78.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 1.34 109.946 175.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 843' ' ' GLN . . . . . 0.436 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.1 OUTLIER -57.49 -47.12 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 2.07 110.258 176.133 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.478 HD22 ' HB ' ' A' ' 827' ' ' ILE . 5.6 tp -62.15 -41.24 98.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.81 110.926 179.391 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.27 -30.55 78.02 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.56 112.089 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 -25.28 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 1.03 110.379 177.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 847' ' ' LEU . . . . . 0.528 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -73.87 -40.66 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 2.14 110.216 175.564 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 107.02 13.67 20.94 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.785 -0.643 . . . . 0.62 112.104 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -105.28 156.02 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.611 0.243 . . . . 1.67 110.51 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 850' ' ' GLN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -63.96 132.01 49.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.92 110.784 -177.658 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 101.94 9.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 1.39 110.731 -178.572 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 852' ' ' LYS . . . . . 0.481 ' HG2' HD12 ' A' ' 869' ' ' ILE . 1.2 mptt -89.86 110.97 21.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.171 -0.678 . . . . 1.95 109.171 176.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 853' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -89.92 126.83 35.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.038 0.447 . . . . 1.24 111.926 -171.075 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -142.66 177.65 8.17 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.767 -0.651 . . . . 1.15 110.332 178.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 855' ' ' ASN . . . . . 0.612 ' OD1' ' HA ' ' A' ' 832' ' ' ASP . 4.6 t30 -153.69 74.16 0.99 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.117 0.484 . . . . 2.4 110.064 -174.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 856' ' ' ASP . . . . . 0.777 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 9.7 t70 160.14 143.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.57 -1.196 . . . . 1.45 108.848 173.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.641 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -65.6 -40.75 96.16 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.372 -0.918 . . . . 0.66 112.072 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -31.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 1.55 110.334 178.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 859' ' ' ASP . . . . . 0.777 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 36.0 t0 -60.64 -40.79 93.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.402 . . . . 0.84 110.425 175.423 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.823 ' HB2' HG23 ' A' ' 830' ' ' VAL . . . -63.37 -43.05 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.772 -0.649 . . . . 1.2 110.981 178.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -34.86 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.102 -0.499 . . . . 2.43 110.848 -178.023 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -42.2 80.05 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.467 0.651 . . . . 2.14 110.045 176.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 863' ' ' VAL . 1.8 t -61.66 -32.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 1.53 109.581 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 864' ' ' LEU . . . . . 1.039 ' HG ' HD21 ' A' ' 897' ' ' LEU . 1.8 tm? -68.14 -36.09 79.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.644 -0.707 . . . . 2.23 111.232 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -41.94 84.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.766 0.317 . . . . 0.97 110.864 -176.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -31.72 25.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 3.88 111.378 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 867' ' ' ASN . . . . . 0.791 HD21 HD13 ' A' ' 869' ' ' ILE . 9.3 t30 -128.52 121.31 28.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.968 0.414 . . . . 1.86 110.658 -177.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -78.34 78.58 4.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.053 -0.521 . . . . 3.83 111.742 -174.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 869' ' ' ILE . . . . . 0.791 HD13 HD21 ' A' ' 867' ' ' ASN . 0.2 OUTLIER -71.91 147.41 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.882 -0.599 . . . . 1.62 109.761 175.571 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 870' ' ' ASP . . . . . 0.518 ' N ' HG23 ' A' ' 869' ' ' ILE . 1.1 m-20 -84.71 -60.36 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 1.64 111.317 -174.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.434 HD13 ' HG2' ' A' ' 898' ' ' PRO . 8.2 mm -115.06 143.55 24.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.883 -0.414 . . . . 1.68 109.883 -179.076 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.708 HG21 HD23 ' A' ' 897' ' ' LEU . 92.9 t -124.17 127.4 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.741 -0.384 . . . . 1.3 111.268 -178.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.487 HD22 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.65 99.35 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.514 -0.55 . . . . 1.46 109.514 173.085 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.6 p -97.75 103.92 15.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.08 0.467 . . . . 1.37 110.016 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 875' ' ' ASP . . . . . 0.461 ' CG ' ' HZ3' ' A' ' 925' ' ' LYS . 30.5 t0 -90.78 114.24 26.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.427 -0.806 . . . . 1.34 110.187 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 7.0 t -104.54 106.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.571 -0.74 . . . . 1.82 110.561 -177.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.614 ' HA ' ' HB1' ' A' ' 904' ' ' ALA . 1.4 t30 -79.47 -15.9 56.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.913 -0.773 . . . . 2.99 108.913 177.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 34.7 ttm -76.36 106.43 3.26 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.263 -1.335 . . . . 4.08 109.897 178.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 879' ' ' PRO . . . . . 0.431 ' HG2' ' H ' ' A' ' 880' ' ' ASN . 73.0 Cg_endo -81.9 -87.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.586 2.191 . . . . 4.07 113.248 -172.591 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 880' ' ' ASN . . . . . 0.431 ' H ' ' HG2' ' A' ' 879' ' ' PRO . 46.4 t30 -79.77 59.8 3.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 5.43 110.749 -176.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.79 67.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.163 -0.471 . . . . 5.88 111.366 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.97 39.94 19.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.864 -0.607 . . . . 4.99 112.209 172.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -71.34 -3.05 51.99 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.27 -0.49 . . . . 3.04 113.118 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 884' ' ' TYR . . . . . 0.98 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 24.0 p90 -107.49 -27.55 10.34 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.867 1.318 . . . . 3.02 109.908 178.174 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 885' ' ' ARG . . . . . 0.605 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.38 -25.02 65.56 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.862 -1.517 . . . . 3.74 111.049 -163.242 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . 0.641 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.4 OUTLIER -68.39 -34.95 76.94 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.052 0.93 . . . . 2.82 108.768 -170.874 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 887' ' ' THR . . . . . 0.725 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.1 m -73.8 -26.93 60.87 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.911 -1.495 . . . . 1.55 109.702 178.312 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -59.46 -46.54 88.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.678 -0.692 . . . . 2.4 110.054 175.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -62.24 -35.21 78.23 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.046 -0.525 . . . . 2.86 110.615 176.485 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 890' ' ' ILE . . . . . 0.63 HD13 ' HA ' ' A' ' 887' ' ' THR . 89.2 mt -62.43 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 2.15 110.781 177.284 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.587 ' HA ' HD21 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -67.79 -38.98 84.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 2.75 110.64 179.11 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 892' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 1.5 tp60 -59.39 -46.11 89.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 3.05 110.719 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.614 -0.721 . . . . 2.43 111.423 -177.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 101.24 81.16 1.56 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.607 -0.806 . . . . 1.12 111.136 -176.083 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 895' ' ' LEU . . . . . 0.587 HD21 ' HA ' ' A' ' 891' ' ' ARG . 0.4 OUTLIER -82.27 160.82 22.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.694 0.759 . . . . 3.34 112.651 -172.345 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 896' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 896' ' ' THR . 1.2 m -128.7 -4.74 5.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.248 -1.342 . . . . 2.85 107.849 172.585 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 1.039 HD21 ' HG ' ' A' ' 864' ' ' LEU . 0.9 OUTLIER -80.07 147.93 66.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 113.726 -1.579 . . . . 1.91 112.894 -167.225 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.504 ' HB2' ' HD2' ' A' ' 939' ' ' TYR . 3.0 Cg_endo -87.97 98.31 0.42 Allowed 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.285 2.656 . . . . 1.09 109.471 162.545 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 899' ' ' VAL . . . . . 0.774 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.1 t -99.32 115.56 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.371 0.605 . . . . 1.31 111.755 -172.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . 0.651 HD13 HG22 ' A' ' 935' ' ' THR . 0.1 OUTLIER -101.32 104.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.332 -0.849 . . . . 1.28 109.406 174.184 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 922' ' ' CYS . . . -96.42 117.56 5.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.735 -0.745 . . . . 0.51 112.393 -177.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 902' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 4.1 t -87.29 137.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.431 -0.581 . . . . 1.64 109.431 177.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 15.8 p -120.29 132.74 55.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 1.35 111.238 -176.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 877' ' ' ASN . . . -108.53 102.48 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.59 110.636 175.338 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 48.29 15.8 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.514 -0.766 . . . . 3.03 111.78 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -81.49 -20.84 39.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.566 -0.288 . . . . 2.81 111.181 -178.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.55 112.76 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.33 0.652 . . . . 4.33 112.336 177.468 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 55.54 48.9 17.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.157 -0.929 . . . . 2.52 110.84 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.9 -17.43 64.31 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.146 -0.934 . . . . 3.31 110.32 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 910' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 913' ' ' ARG . 5.2 mt-10 -62.91 -37.91 88.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.351 -0.386 . . . . 3.58 110.157 174.788 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -41.31 60.98 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.302 -0.408 . . . . 2.7 110.545 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 912' ' ' GLN . . . . . 0.98 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -63.52 -27.46 69.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.291 0.567 . . . . 3.07 109.581 175.719 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 913' ' ' ARG . . . . . 0.717 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -64.62 -48.99 72.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.374 -0.83 . . . . 4.72 111.275 178.38 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -27.52 66.05 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.455 -0.572 . . . . 2.18 109.455 175.458 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 915' ' ' LEU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -68.48 -51.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.136 -0.938 . . . . 2.39 111.552 179.121 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 916' ' ' GLU . . . . . 0.725 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.4 OUTLIER -79.59 -44.85 20.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.184 -1.006 . . . . 3.47 111.199 -176.183 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 13.3 m 49.17 49.44 19.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.73 1.011 . . . . 1.35 113.73 178.222 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.08 24.95 1.59 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.32 -0.943 . . . . 1.02 112.679 174.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 919' ' ' MET . . . . . 0.774 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -103.38 -114.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.126 0.489 . . . . 2.46 111.217 -171.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.502 ' H ' ' HB3' ' A' ' 919' ' ' MET . 7.8 t70 174.01 -51.66 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.462 -0.94 . . . . 1.26 108.462 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.2 m -162.59 152.97 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.471 -0.786 . . . . 1.26 110.432 177.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 922' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 3.3 m -108.97 151.41 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.439 -0.346 . . . . 2.14 110.767 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 923' ' ' LEU . . . . . 0.422 ' HB2' HG21 ' A' ' 902' ' ' VAL . 67.9 mt -125.62 167.58 14.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 1.28 111.101 -178.758 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.92 146.44 24.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 1.11 110.073 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 925' ' ' LYS . 1.5 tptt -47.87 -44.6 59.03 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.926 1.084 . . . . 1.69 113.926 -177.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.28 59.04 1.86 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.108 1.872 . . . . 1.33 112.956 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 927' ' ' VAL . . . . . 0.454 ' H ' HG21 ' A' ' 927' ' ' VAL . 0.9 OUTLIER -67.92 112.33 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 1.94 110.304 175.477 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.75 160.72 15.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.262 -0.426 . . . . 1.48 110.52 178.619 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.436 HD23 ' HG2' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -53.14 -45.47 68.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.921 0.391 . . . . 1.47 111.112 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.41 -40.05 70.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.945 -0.302 . . . . 1.85 111.222 -177.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -35.12 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.944 -0.302 . . . . 1.51 110.817 -177.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 933' ' ' LYS . 0.9 OUTLIER -71.25 -30.58 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 120.99 -0.284 . . . . 1.69 110.288 175.088 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 933' ' ' LYS . . . . . 0.476 ' N ' HG21 ' A' ' 932' ' ' ILE . 0.8 OUTLIER -67.49 -41.73 84.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.332 . . . . 2.36 110.501 178.077 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.76 -49.07 79.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 2.76 110.361 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 935' ' ' THR . . . . . 0.651 HG22 HD13 ' A' ' 900' ' ' ILE . 1.3 m -66.87 -37.67 84.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.925 -0.58 . . . . 1.23 111.321 179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.9 -54.56 43.52 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.41 110.279 178.297 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 10.1 m -57.22 -42.86 82.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.729 -0.669 . . . . 1.41 110.822 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 938' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -55.93 -52.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.414 0.626 . . . . 1.99 111.008 179.377 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 939' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' A' ' 898' ' ' PRO . 4.4 m-85 -74.19 -32.02 62.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.126 -0.488 . . . . 1.99 111.094 -175.566 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 940' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.69 -41.89 98.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 1.22 110.267 177.18 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 938' ' ' LEU . 2.8 pt-20 -64.18 -36.15 83.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.51 178.082 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 56.1 mtt180 -66.95 -48.34 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.371 . . . . 3.6 110.855 -178.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 943' ' ' VAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 18.6 m -72.03 -31.17 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.456 -0.338 . . . . 1.3 111.068 -178.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 944' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -70.58 -46.28 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.229 -0.188 . . . . 4.16 110.842 179.333 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -24.34 62.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 3.22 111.251 -177.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 15.3 m -86.21 -21.78 27.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.671 0.272 . . . . 1.34 111.374 177.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 947' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -93.78 -62.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 4.07 111.332 -176.924 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -126.74 58.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.306 0.574 . . . . 2.64 110.939 -171.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.247 0.958 0 N-CA-C 109.104 -0.702 . . . . 5.37 109.104 175.739 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.24 0.543 . . . . 1.8999999999999999 111.425 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.696 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 11.9 ttm -88.1 108.33 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.777 -0.647 . . . . 1.9299999999999999 109.948 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.902 ' HB ' HD21 ' A' ' 844' ' ' LEU . 4.5 mm -107.12 143.65 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.157 0.503 . . . . 0.46999999999999997 111.2 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 872' ' ' VAL . 60.9 tp -101.6 116.87 33.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 1.3700000000000001 110.575 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -107.8 108.5 25.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.735 0.779 . . . . 1.0600000000000001 109.929 179.031 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.3 t -116.57 137.1 51.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.336 -0.847 . . . . 1.0700000000000001 109.594 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.415 ' CG ' ' HB3' ' A' ' 836' ' ' ASN . 3.6 t70 -148.24 147.48 29.42 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.657 -0.417 . . . . 1.3 110.902 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -94.73 -3.55 49.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 2.0299999999999998 110.473 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 5.5 m170 -117.4 125.49 28.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.814 -0.63 . . . . 2.1200000000000001 110.261 176.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 31.3 Cg_exo -59.6 -39.21 76.75 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.518 2.145 . . . . 1.1200000000000001 112.87 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.72 -39.74 76.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.015 0.436 . . . . 2.2599999999999998 110.055 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 831' ' ' ASP . 2.2 t30 -71.02 -41.01 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 1.8300000000000001 109.948 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.424 HH11 ' HG3' ' A' ' 837' ' ' ARG . 3.9 ttm-85 -56.6 -47.63 79.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 2.7799999999999998 110.878 177.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.507 ' HD3' ' C ' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -54.89 -50.87 67.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.772 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.97 65.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.429 -0.805 . . . . 1.1399999999999999 111.299 -172.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 829' ' ' VAL . 59.4 tp -67.15 -43.03 83.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 1.4299999999999999 110.211 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.26 -35.19 73.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.59999999999999998 110.807 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.14 -47.34 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 1.3400000000000001 110.115 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.818 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.47 -43.49 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 1.8500000000000001 110.477 179.144 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.902 HD21 ' HB ' ' A' ' 827' ' ' ILE . 10.7 tp -63.54 -37.73 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.749 -0.66 . . . . 1.24 111.133 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.07 -40.55 99.37 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.987 -0.625 . . . . 0.52000000000000002 112.419 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 25.0 m -76.69 -19.52 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.82 0.343 . . . . 0.69999999999999996 110.979 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.1 OUTLIER -69.2 -34.77 75.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.461 0.648 . . . . 1.5600000000000001 109.438 171.521 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 100.9 22.55 10.75 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.266 -0.879 . . . . 0.62 112.101 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -110.36 151.48 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.544 0.211 . . . . 1.22 110.528 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 1.2 tp60 -61.33 124.79 21.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 2.3799999999999999 110.342 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 106.3 16.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.267 -0.424 . . . . 0.93999999999999995 110.932 -177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.13 110.27 22.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.365 -0.606 . . . . 1.4399999999999999 109.365 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.03 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.004 0.43 . . . . 0.62 111.742 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.593 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -141.83 168.58 19.42 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.971 -0.558 . . . . 0.46999999999999997 110.72 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.2 t30 -144.3 72.45 1.34 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.704 -0.226 . . . . 1.8999999999999999 110.883 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.677 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.8 t0 161.03 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.228 0.955 . . . . 1.45 109.828 171.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.43 78.46 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.219 -0.991 . . . . 0.57999999999999996 110.882 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.518 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -68.78 -30.64 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.94999999999999996 110.753 178.007 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 17.8 t0 -63.52 -32.27 73.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.83999999999999997 110.868 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -57.92 -53.68 55.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.51000000000000001 111.19 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.621 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -73.79 -27.68 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 1.8500000000000001 110.944 -178.66 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.06 -48.35 79.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.435 0.636 . . . . 1.72 109.47 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 828' ' ' LEU . 2.2 t -64.03 -35.15 72.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.203 -0.908 . . . . 0.89000000000000001 110.249 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.88 -31.73 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.6599999999999999 111.182 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 14.6 m -78.2 -27.06 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.25 -0.432 . . . . 0.81999999999999995 110.72 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 4.7 mmmt -84.21 -37.01 22.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 3.46 111.176 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 157.1 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.299 -0.41 . . . . 1.8600000000000001 110.194 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 137.73 34.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.988 0.423 . . . . 3.1200000000000001 111.266 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.563 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -134.21 153.99 36.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.33 -0.396 . . . . 1.0600000000000001 110.417 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 870' ' ' ASP . . . . . 0.709 ' HA ' HH21 ' A' ' 947' ' ' ARG . 8.2 t0 -95.18 -57.19 2.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 1.6399999999999999 110.957 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.8 mm -113.45 130.37 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.084 -0.507 . . . . 1.03 110.65 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.687 HG13 HD23 ' A' ' 828' ' ' LEU . 38.9 t -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.12 -0.232 . . . . 0.67000000000000004 110.724 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -123.32 99.87 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.963 -0.384 . . . . 0.87 109.963 173.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.713 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 11.3 p -111.29 110.44 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.014 -0.275 . . . . 0.72999999999999998 110.383 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 18.4 t0 -95.91 117.78 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.181 0.515 . . . . 1.3400000000000001 111.058 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 1.29 110.28 179.758 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.883 ' HB2' ' HG3' ' A' ' 912' ' ' GLN . 9.2 t80 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 122.251 1.024 . . . . 2.8399999999999999 109.223 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.536 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.8 tmm_? -63.44 -29.32 70.62 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.946 -1.025 . . . . 3.3599999999999999 111.428 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -22.3 66.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.304 1.05 . . . . 2.3399999999999999 109.547 -173.428 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -85.23 -28.32 25.47 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.724 -1.58 . . . . 1.28 107.707 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.572 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -62.96 -47.97 80.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 2.1699999999999999 110.002 169.79 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.41 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -63.2 -33.92 76.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.291 -0.413 . . . . 2.3599999999999999 111.38 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.838 HG21 HG21 ' A' ' 899' ' ' VAL . 2.0 mt -67.37 -42.88 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.499 -0.319 . . . . 1.71 110.582 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.593 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.86 -23.51 62.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.124 0.487 . . . . 2.2400000000000002 110.526 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -72.97 -38.25 66.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.047 -0.524 . . . . 2.6200000000000001 110.155 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -31.92 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 1.9099999999999999 110.174 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 103.99 84.68 1.8 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.925 -0.655 . . . . 1.1200000000000001 111.623 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -75.2 121.99 22.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.401 0.619 . . . . 2.8900000000000001 111.108 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.56 24.16 11.51 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.5 -0.773 . . . . 2.4900000000000002 109.136 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.32 155.4 31.72 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 114.592 -1.185 . . . . 1.3999999999999999 109.258 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 126.05 11.28 Favored 'Trans proline' 0 C--O 1.242 0.724 0 C-N-CA 122.441 2.094 . . . . 0.72999999999999998 113.424 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.838 HG21 HG21 ' A' ' 890' ' ' ILE . 21.9 t -101.54 105.64 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 121.371 0.605 . . . . 0.64000000000000001 110.099 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 873' ' ' LEU . 5.5 mt -92.84 108.28 20.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.328 0.585 . . . . 0.64000000000000001 109.952 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.35 99.68 2.58 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.477 -0.783 . . . . 0.47999999999999998 112.055 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.2 OUTLIER -76.77 127.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 108.383 -0.969 . . . . 1.04 108.383 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.82 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 2.4 p -140.39 155.36 46.78 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.632 -0.427 . . . . 0.89000000000000001 111.801 -169.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.4 104.53 4.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 1.1899999999999999 111.229 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 55.47 55.8 6.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.708 -0.678 . . . . 2.7000000000000002 112.326 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.87 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -98.55 42.32 1.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.967 0.413 . . . . 2.8100000000000001 110.152 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.89 -71.04 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.171 -0.922 . . . . 3.9300000000000002 110.815 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -143.66 78.22 1.58 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.211 -0.663 . . . . 2.0899999999999999 109.211 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.87 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 13.5 mp0 -58.15 -45.84 86.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.669 -0.696 . . . . 3.3100000000000001 111.619 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.24 -39.61 75.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 3.5800000000000001 110.562 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -65.4 -35.02 79.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.818 -0.628 . . . . 2.29 110.706 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 884' ' ' TYR . 0.7 OUTLIER -68.57 -39.11 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.276 0.56 . . . . 2.6499999999999999 109.75 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.504 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 5.2 ttt180 -62.26 -39.74 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.409 -0.814 . . . . 4.0499999999999998 110.46 177.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.33 -38.64 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 1.6499999999999999 111.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.19 -52.24 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.098 0.475 . . . . 1.8799999999999999 111.326 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.835 ' HB2' HG22 ' A' ' 887' ' ' THR . 4.3 mm-40 -78.2 -22.17 48.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.663 -0.699 . . . . 3.4700000000000002 110.872 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 917' ' ' SER . . . . . 0.462 ' HB2' HH11 ' A' ' 891' ' ' ARG . 1.5 m 52.43 51.87 15.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.961 1.097 . . . . 1.3500000000000001 113.961 171.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.69 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.02 27.07 1.43 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.409 -0.901 . . . . 1.02 113.487 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.745 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.3 ttm -106.98 -119.95 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.336 0.568 . . . . 2.0099999999999998 111.21 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 919' ' ' MET . 17.3 t70 171.03 -52.14 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 123.861 0.865 . . . . 1.26 108.857 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.17 170.14 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.515 -0.766 . . . . 1.26 110.369 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.504 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 70.1 m -131.58 135.53 47.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.642 -0.254 . . . . 1.1299999999999999 110.501 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.746 ' HB2' HG13 ' A' ' 902' ' ' VAL . 62.2 mt -124.94 -175.27 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.574 -0.284 . . . . 0.68999999999999995 110.587 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.95 153.53 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.89000000000000001 110.042 178.716 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.2 tptp -49.89 -48.17 78.56 Favored Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 113.788 1.033 . . . . 1.1100000000000001 113.788 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 11.9 Cg_exo -72.78 65.91 3.95 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.067 1.845 . . . . 1.01 113.599 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.4 99.43 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 1.3600000000000001 110.303 173.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.8 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.311 -0.404 . . . . 0.92000000000000004 111.384 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -58.44 -46.31 86.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.737 0.303 . . . . 0.92000000000000004 111.133 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.23 -46.42 73.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.35 -0.386 . . . . 1.8500000000000001 110.719 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.14 -44.86 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.973 -0.558 . . . . 0.93000000000000005 110.338 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.699 HG23 HD23 ' A' ' 936' ' ' LEU . 0.5 OUTLIER -61.68 -38.95 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 1.1799999999999999 110.551 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.45 76.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.204 -0.453 . . . . 1.8999999999999999 112.015 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -69.2 -38.22 78.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 2.25 110.854 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.1 m -65.8 -44.53 85.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.238 . . . . 0.62 111.01 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.699 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.62 -41.28 92.88 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.436 -0.347 . . . . 0.85999999999999999 110.792 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 80.7 m -65.94 -47.29 75.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.317 -0.402 . . . . 0.87 111.015 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.157 0.503 . . . . 1.4199999999999999 110.884 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.443 ' O ' HG22 ' A' ' 943' ' ' VAL . 4.0 m-85 -76.68 -25.55 53.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.143 -0.481 . . . . 1.5900000000000001 111.724 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.04 93.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.278 0.561 . . . . 0.60999999999999999 110.322 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.07 -34.87 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.643 . . . . 1.8700000000000001 109.926 176.658 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -67.15 -48.45 68.0 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.152 -0.476 . . . . 3.1099999999999999 110.638 -178.347 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 939' ' ' TYR . 17.1 m -66.98 -29.33 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.75 110.423 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.37 -34.59 76.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.487 -0.324 . . . . 3.5800000000000001 110.193 174.807 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -34.94 33.19 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.92 0.39 . . . . 2.7799999999999998 110.953 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 3.8 m -75.6 -25.9 57.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.38 0.511 . . . . 1.3400000000000001 112.38 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.709 HH21 ' HA ' ' A' ' 870' ' ' ASP . 74.1 mtt-85 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 3.5299999999999998 111.305 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.911 -0.403 . . . . 1.8999999999999999 109.911 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.416 ' O ' HG23 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -98.62 113.31 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.035 0.445 . . . . 1.9299999999999999 110.147 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.795 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -110.7 137.82 41.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.469 -0.787 . . . . 0.46999999999999997 109.751 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.5 OUTLIER -94.79 118.45 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.388 -0.369 . . . . 1.3700000000000001 110.773 -177.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.0 m -101.72 94.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.169 -0.678 . . . . 1.0600000000000001 109.169 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.835 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -110.24 84.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 1.0700000000000001 110.511 -174.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -106.27 154.97 19.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.508 -0.314 . . . . 1.3 111.105 -171.603 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 832' ' ' ASP . . . . . 0.469 ' HA ' ' ND2' ' A' ' 855' ' ' ASN . 2.1 p-10 -93.28 -18.24 22.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.853 0.686 . . . . 2.0299999999999998 112.853 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 32.4 m-70 -127.18 107.96 21.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.275 -0.266 . . . . 2.1200000000000001 110.532 -177.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.8 Cg_endo -40.31 -39.07 2.52 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 124.879 3.719 . . . . 1.1200000000000001 115.375 -167.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -33.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 120.939 0.4 . . . . 2.2599999999999998 111.432 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -83.55 -22.56 32.35 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.874 -0.33 . . . . 1.8300000000000001 110.56 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.411 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 4.1 ttm180 -61.42 -50.53 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 2.7799999999999998 110.017 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -32.02 71.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 2.75 111.352 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -39.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.1399999999999999 111.232 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 932' ' ' ILE . 54.1 tp -66.59 -41.13 88.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 1.4299999999999999 109.813 177.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.76 62.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.608 . . . . 0.59999999999999998 110.921 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -68.47 -48.76 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 1.3400000000000001 110.271 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.812 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.5 OUTLIER -64.32 -35.15 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 1.8500000000000001 110.096 177.325 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.795 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.2 tp -63.25 -43.42 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 1.24 110.487 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.61 -27.82 73.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52000000000000002 111.855 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.1 m -68.44 -28.38 67.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.69999999999999996 110.075 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -81.75 -15.56 53.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.713 -0.676 . . . . 1.5600000000000001 110.469 175.455 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.89 70.14 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.851 -0.613 . . . . 0.62 111.819 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' TYR . . . . . 0.496 ' HD2' HD11 ' A' ' 827' ' ' ILE . 3.7 m-85 -99.58 143.43 29.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 1.22 110.664 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.07 132.82 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 2.3799999999999999 111.284 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.618 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -115.76 107.96 15.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 0.93999999999999995 111.192 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -93.39 119.21 32.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.105 -0.702 . . . . 1.4399999999999999 109.105 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.595 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -91.12 136.22 33.23 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.771 0.656 . . . . 0.62 112.771 -168.718 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.835 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.3 175.48 13.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.832 -0.622 . . . . 0.46999999999999997 109.806 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.676 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.1 t-20 -147.23 74.65 1.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.665 -0.414 . . . . 1.8999999999999999 111.691 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.676 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.1 t70 160.58 164.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.344 1.058 . . . . 1.45 109.798 166.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.674 ' HA3' ' HB3' ' A' ' 886' ' ' LEU . . . -74.02 -42.72 36.1 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.411 -0.899 . . . . 0.57999999999999996 110.916 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.451 HG22 ' OD1' ' A' ' 856' ' ' ASP . 29.7 m -72.64 -29.13 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.082 0.468 . . . . 0.94999999999999996 110.341 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 32.1 t0 -62.68 -40.74 98.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.913 -0.585 . . . . 0.83999999999999997 109.678 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.697 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -65.26 -33.94 77.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 0.51000000000000001 110.354 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -62.76 -43.28 99.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 1.8500000000000001 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -69.26 -49.8 52.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.72 111.066 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 860' ' ' ALA . 8.2 p -64.22 -32.47 57.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.525 -0.307 . . . . 0.89000000000000001 110.759 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 2.4 mt -66.0 -32.35 73.79 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.296 0.57 . . . . 1.6599999999999999 110.426 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 48.7 m -76.3 -21.81 55.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.826 -0.625 . . . . 0.81999999999999995 110.602 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -36.61 20.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 3.46 110.682 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 137.44 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.727 -0.842 . . . . 1.8600000000000001 108.727 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.41 84.2 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.023 0.44 . . . . 3.1200000000000001 111.883 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -61.01 139.54 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.753 . . . . 1.0600000000000001 109.409 170.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 870' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 0.2 OUTLIER -87.63 -30.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.647 0.61 . . . . 1.6399999999999999 112.647 -170.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 9.0 mt -134.19 129.98 54.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.107 -0.331 . . . . 1.03 110.107 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 37.0 t -112.88 131.75 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.923 -0.311 . . . . 0.67000000000000004 111.541 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.665 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -117.92 99.64 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.87 110.112 174.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 p -90.04 103.08 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.931 0.396 . . . . 0.72999999999999998 110.264 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.694 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 60.9 t0 -93.72 118.08 30.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.753 -0.658 . . . . 1.3400000000000001 110.435 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 1.29 111.338 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.729 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.7 p90 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.867 0.841 . . . . 2.8399999999999999 110.602 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.663 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.63 -27.13 62.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.459 -0.792 . . . . 3.3599999999999999 111.475 -168.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.674 ' HB3' ' HA3' ' A' ' 857' ' ' GLY . 0.1 OUTLIER -73.25 -27.57 61.66 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.16 -1.052 . . . . 2.3399999999999999 108.16 -170.589 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 11.4 m -78.0 -28.26 49.21 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 113.68 -1.6 . . . . 1.28 109.906 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 37.6 tt0 -61.68 -41.4 97.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.679 -0.691 . . . . 2.1699999999999999 109.753 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -37.52 80.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 2.3599999999999999 110.648 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.424 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.4 OUTLIER -64.3 -35.24 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.795 0.331 . . . . 1.71 110.747 178.358 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -69.16 -39.09 79.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 2.2400000000000002 110.057 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.14 -37.6 87.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.38 0.609 . . . . 2.6200000000000001 109.99 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.22 -23.84 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.384 -0.825 . . . . 1.9099999999999999 111.254 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.47 73.96 1.26 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.905 -0.664 . . . . 1.1200000000000001 111.885 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -69.14 133.83 48.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 2.8900000000000001 111.209 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.8 27.42 8.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.953 -0.567 . . . . 2.4900000000000002 110.092 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 870' ' ' ASP . 0.7 OUTLIER -153.86 153.25 28.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 1.3999999999999999 109.648 -177.594 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 16.5 Cg_exo -67.94 133.88 30.44 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 122.799 2.332 . . . . 0.72999999999999998 112.836 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 42.7 t -110.07 125.15 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.64000000000000001 110.491 177.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 873' ' ' LEU . 3.8 mt -112.38 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.013 -0.54 . . . . 0.64000000000000001 110.015 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.35 124.24 7.39 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.648 -0.787 . . . . 0.47999999999999998 112.105 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.0 t -97.03 96.41 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' A' ' 924' ' ' SER . 2.5 p -116.97 171.78 7.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.087 0.47 . . . . 0.89000000000000001 111.611 -172.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -144.33 102.53 3.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 1.1899999999999999 110.434 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 48.01 65.17 1.37 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.029 0.831 . . . . 2.7000000000000002 112.115 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -83.66 49.24 1.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.123 -0.489 . . . . 2.8100000000000001 110.577 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.1 -74.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.447 -0.797 . . . . 3.9300000000000002 111.012 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.42 75.7 1.47 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.407 -0.59 . . . . 2.0899999999999999 109.407 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.46 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.42 -25.86 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 3.3100000000000001 111.59 -174.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.68 -44.65 96.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.239 0.542 . . . . 3.5800000000000001 110.153 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.11 75.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.633 -0.712 . . . . 2.29 110.525 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.729 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.6 OUTLIER -74.0 -28.72 61.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.791 -0.364 . . . . 2.6499999999999999 110.744 -177.152 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.75 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.84 -36.43 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.28 0.562 . . . . 4.0499999999999998 110.078 174.762 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 13.5 m -73.69 -26.43 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.938 -0.573 . . . . 1.6499999999999999 110.327 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -71.64 -51.74 21.56 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.796 -0.638 . . . . 1.8799999999999999 112.02 -177.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.75 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -77.57 -42.51 34.98 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.216 -0.594 . . . . 3.4700000000000002 110.648 179.138 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.67 49.99 19.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.79 0.663 . . . . 1.3500000000000001 112.79 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.26 10.98 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.002 -1.094 . . . . 1.02 112.529 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.878 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.4 ttm -87.65 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.259 . . . . 2.0099999999999998 111.092 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' A' ' 919' ' ' MET . 25.8 t0 165.74 -52.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.154 0.982 . . . . 1.26 109.109 173.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 157.62 46.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 1.26 110.853 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.32 142.0 48.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.352 -0.385 . . . . 1.1299999999999999 110.445 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 935' ' ' THR . 0.0 OUTLIER -135.3 -175.36 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.68999999999999995 109.938 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.7 m -105.79 149.63 26.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.432 -0.349 . . . . 0.89000000000000001 110.112 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.528 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 2.1 tptt -44.04 -53.02 14.21 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 113.318 0.859 . . . . 1.1100000000000001 113.318 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 72.1 Cg_endo -77.53 65.35 8.07 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.563 1.509 . . . . 1.01 112.499 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.32 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 1.3600000000000001 110.439 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 170.28 14.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 0.92000000000000004 110.774 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.8 OUTLIER -58.61 -46.29 87.35 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.791 0.293 . . . . 0.92000000000000004 111.791 -175.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.45 -44.23 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.815 0.341 . . . . 1.8500000000000001 110.665 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.16 -47.26 90.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.93000000000000005 110.75 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.1 tt -64.37 -32.8 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.1799999999999999 110.996 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.77 -35.31 78.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.739 0.304 . . . . 1.8999999999999999 110.608 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.52 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.1 OUTLIER -63.68 -54.78 30.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 2.25 110.439 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 935' ' ' THR . . . . . 0.419 HG21 HD21 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -64.77 -41.31 95.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.62 111.056 -179.502 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.767 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.09 -57.51 12.53 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.85999999999999999 111.062 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 21.5 m -62.75 -41.94 99.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.24 -0.436 . . . . 0.87 111.398 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -63.23 -42.07 99.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 1.4199999999999999 111.436 -178.305 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 943' ' ' VAL . 3.1 m-30 -84.85 -25.9 27.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.933 -0.307 . . . . 1.5900000000000001 111.54 -175.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -65.23 -40.33 93.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 0.60999999999999999 109.903 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.11 71.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.924 -0.58 . . . . 1.8700000000000001 109.694 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -48.51 80.54 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 3.1099999999999999 111.047 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 17.6 m -75.49 -34.7 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.632 -0.258 . . . . 0.75 110.972 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -65.15 -45.12 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 3.5800000000000001 111.304 -178.181 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -29.76 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 2.7799999999999998 111.853 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 35.9 m -75.4 -38.71 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.547 -0.461 . . . . 1.3400000000000001 110.417 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 5.3 ttt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 3.5299999999999998 109.865 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 825' ' ' MET . . . . . 0.432 ' HE1' ' HA ' ' A' ' 940' ' ' ALA . 1.3 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.805 0.336 . . . . 1.8999999999999999 110.285 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.31 113.09 25.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 1.9299999999999999 110.593 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 38.5 mm -104.89 132.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.665 -0.698 . . . . 0.46999999999999997 110.223 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.869 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.9 tp -96.61 104.52 16.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.931 0.396 . . . . 1.3700000000000001 110.374 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 15.5 m -93.4 100.23 10.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.63 0.729 . . . . 1.0600000000000001 110.399 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.5 t -112.38 125.93 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.629 . . . . 1.0700000000000001 110.153 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.576 ' HB3' ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -148.03 142.84 26.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 117.967 0.349 . . . . 1.3 111.216 175.585 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -78.04 -14.06 59.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.815 0.672 . . . . 2.0299999999999998 112.815 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -119.35 83.49 26.18 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.992 -0.373 . . . . 2.1200000000000001 109.992 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -35.03 -39.76 0.22 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 125.167 3.911 . . . . 1.1200000000000001 116.396 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.7 OUTLIER -57.81 -31.41 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 121.086 0.47 . . . . 2.2599999999999998 111.397 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -73.77 -41.62 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.959 -0.564 . . . . 1.8300000000000001 110.267 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 1.014 ' HE ' ' HA ' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -64.45 -33.68 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.922 -0.311 . . . . 2.7799999999999998 111.138 176.202 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.594 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.29 -50.7 72.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.519 0.676 . . . . 2.75 109.851 173.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.594 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.61 -40.23 76.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.155 -0.929 . . . . 1.1399999999999999 110.964 -173.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -67.57 -30.32 69.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.974 -0.557 . . . . 1.4299999999999999 110.731 178.077 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -72.14 -24.76 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.59999999999999998 110.287 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -47.13 71.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.369 -0.604 . . . . 1.3400000000000001 109.369 173.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.03 95.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.517 -0.765 . . . . 1.8500000000000001 110.459 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -60.53 -37.03 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.24 110.472 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.44 -31.11 79.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.452 -0.794 . . . . 0.52000000000000002 112.308 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -16.54 56.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.69999999999999996 110.481 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -41.39 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.5600000000000001 110.121 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.96 35.6 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.62 112.315 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -123.77 152.98 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 1.22 110.254 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.44 126.55 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 2.3799999999999999 109.958 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 111.76 22.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.83 0.348 . . . . 0.93999999999999995 111.085 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.54 120.21 38.59 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.342 -0.614 . . . . 1.4399999999999999 109.342 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.513 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -88.61 140.04 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.62 112.066 -170.489 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -157.16 171.06 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.675 -0.693 . . . . 0.46999999999999997 109.407 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.5 OUTLIER -154.8 73.09 0.87 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.089 -0.645 . . . . 1.8999999999999999 112.315 -175.04 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.676 ' OD2' HG22 ' A' ' 858' ' ' VAL . 14.0 t70 162.91 156.76 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.227 0.954 . . . . 1.45 109.657 172.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -62.74 -52.55 47.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.966 -0.635 . . . . 0.57999999999999996 112.118 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.676 HG22 ' OD2' ' A' ' 856' ' ' ASP . 1.5 m -74.06 -29.67 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 122.759 -0.26 . . . . 0.94999999999999996 111.018 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.641 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 25.8 t0 -57.53 -33.29 67.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.429 -0.351 . . . . 0.83999999999999997 110.509 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -62.05 -38.4 88.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.51000000000000001 110.676 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -72.88 -33.38 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 1.8500000000000001 110.194 177.763 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.69 -50.59 68.62 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.505 -0.771 . . . . 1.72 110.534 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 828' ' ' LEU . 4.3 p -68.65 -32.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.89000000000000001 110.219 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' A' ' 895' ' ' LEU . 0.3 OUTLIER -58.95 -38.93 80.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.098 0.475 . . . . 1.6599999999999999 110.659 175.034 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 17.9 m -65.58 -37.6 87.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.81999999999999995 110.604 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -73.82 -41.52 62.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 3.46 111.417 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.99 118.73 8.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 1.8600000000000001 110.235 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 144.92 53.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.136 0.494 . . . . 3.1200000000000001 110.66 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.869 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -132.63 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.311 -0.626 . . . . 1.0600000000000001 109.311 -179.1 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.39 -60.69 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.462 . . . . 1.6399999999999999 111.103 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 13.7 mt -121.0 132.12 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.674 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.2 138.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.67000000000000004 110.025 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 106.89 9.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.985 -0.376 . . . . 0.87 109.985 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.0 p -91.68 99.61 12.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.72999999999999998 110.597 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.52 ' HB2' ' NH1' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.272 -0.876 . . . . 1.3400000000000001 109.946 179.244 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 876' ' ' VAL . . . . . 0.47 HG23 HG22 ' A' ' 903' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 1.29 112.023 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.68 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.912 0 N-CA-C 114.482 1.29 . . . . 2.8399999999999999 114.482 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.659 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.1 -25.46 68.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.204 -1.362 . . . . 3.3599999999999999 112.505 -167.039 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.483 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.3 OUTLIER -65.74 -29.85 70.42 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.303 -0.999 . . . . 2.3399999999999999 108.303 -176.736 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -69.93 -41.15 75.0 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.596 -1.183 . . . . 1.28 108.517 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.6 tp-100 -57.07 -45.09 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.866 -1.061 . . . . 2.1699999999999999 110.725 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.484 ' HG2' HD23 ' A' ' 861' ' ' LEU . 0.2 OUTLIER -57.73 -37.34 73.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 2.3599999999999999 110.888 -179.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.693 HG13 HD21 ' A' ' 861' ' ' LEU . 6.2 mt -57.57 -47.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 1.71 110.538 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.04 68.99 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.258 -0.428 . . . . 2.2400000000000002 111.277 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 59.5 mt-30 -74.88 -37.36 62.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.088 0.47 . . . . 2.6200000000000001 110.82 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 893' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 861' ' ' LEU . 6.6 tp -76.41 -4.37 42.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 1.9099999999999999 110.711 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 1.1200000000000001 113.406 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.624 HD21 ' HG ' ' A' ' 864' ' ' LEU . 4.0 mp -90.44 110.44 21.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.991 0.424 . . . . 2.8900000000000001 109.944 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 7.5 t -99.86 -3.8 31.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.499 0.666 . . . . 2.4900000000000002 109.66 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.75 151.46 84.65 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.233 -0.894 . . . . 1.3999999999999999 109.661 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.1 119.6 6.95 Favored 'Trans proline' 0 C--O 1.241 0.65 0 C-N-CA 123.037 2.491 . . . . 0.72999999999999998 113.328 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.7 t -106.04 109.12 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.356 0.598 . . . . 0.64000000000000001 110.281 175.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 40.8 mt -84.57 113.74 23.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.817 -0.629 . . . . 0.64000000000000001 110.262 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 901' ' ' GLY . . . . . 0.429 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -89.05 91.74 1.75 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.69 -0.767 . . . . 0.47999999999999998 112.217 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.631 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.0 OUTLIER -83.61 98.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.102 -0.703 . . . . 1.04 109.102 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.47 HG22 HG23 ' A' ' 876' ' ' VAL . 52.0 p -121.5 -174.75 2.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.579 0.704 . . . . 0.89000000000000001 112.392 -168.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -138.66 160.09 40.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.822 -1.081 . . . . 1.1899999999999999 108.234 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.32 100.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 2.7000000000000002 111.83 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -134.81 86.23 2.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 2.8100000000000001 109.156 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 907' ' ' LEU . 0.1 OUTLIER 70.55 -86.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 3.9300000000000002 110.086 -176.278 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.445 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -166.77 71.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 2.0899999999999999 110.254 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 3.3100000000000001 111.367 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.21 -40.64 90.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.992 0.425 . . . . 3.5800000000000001 110.355 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.02 -38.94 86.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 2.29 110.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 884' ' ' TYR . 1.8 mp0 -69.86 -32.02 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.229 0.537 . . . . 2.6499999999999999 109.926 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.735 ' HG3' ' HB2' ' A' ' 919' ' ' MET . 14.1 ttp85 -64.12 -31.31 72.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.429 -0.805 . . . . 4.0499999999999998 110.131 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.56 -43.99 36.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 1.6499999999999999 110.945 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -52.66 20.92 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 111.873 0.323 . . . . 1.8799999999999999 111.873 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.68 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 13.1 mm-40 -78.38 -23.11 46.97 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.647 0.379 . . . . 3.4700000000000002 111.561 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.52 54.41 10.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.443 1.275 . . . . 1.3500000000000001 114.443 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -132.58 26.75 3.62 Favored Glycine 0 C--O 1.222 -0.611 0 C-N-CA 119.957 -1.116 . . . . 1.02 113.741 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.873 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.8 mtt -117.63 -126.11 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 118.131 0.965 . . . . 2.0099999999999998 112.057 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.504 ' H ' ' HB3' ' A' ' 919' ' ' MET . 23.9 t0 170.58 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.249 1.02 . . . . 1.26 108.738 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.04 173.81 10.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.725 . . . . 1.26 110.822 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.465 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 97.1 m -145.85 120.68 9.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.732 -0.47 . . . . 1.1299999999999999 109.732 176.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 935' ' ' THR . 20.4 mt -125.93 -174.86 3.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.588 -0.278 . . . . 0.68999999999999995 110.275 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.461 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -97.57 143.37 28.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.178 -0.464 . . . . 0.89000000000000001 110.056 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 0.2 OUTLIER -48.39 -44.53 64.75 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.829 0.677 . . . . 1.1100000000000001 112.829 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 57.1 Cg_endo -71.14 64.12 2.64 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.694 1.596 . . . . 1.01 112.663 175.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.13 84.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.3600000000000001 110.608 175.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 928' ' ' THR . . . . . 0.405 ' O ' ' HB ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -71.17 169.01 16.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.846 -0.616 . . . . 0.92000000000000004 110.643 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -38.49 65.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.698 0.285 . . . . 0.92000000000000004 111.249 -178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.87 -61.42 2.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 1.8500000000000001 111.548 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.48 -29.52 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.184 -0.462 . . . . 0.93000000000000005 111.489 -176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -69.09 -35.52 69.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.57 -0.286 . . . . 1.1799999999999999 110.567 179.165 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -40.29 78.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.597 0.237 . . . . 1.8999999999999999 110.477 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -58.35 -57.27 13.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.024 -0.535 . . . . 2.25 110.582 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 935' ' ' THR . . . . . 0.722 HG21 HD11 ' A' ' 923' ' ' LEU . 1.1 m -63.28 -41.57 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.757 -0.656 . . . . 0.62 112.113 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.6 OUTLIER -66.12 -46.52 77.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.886 -0.143 . . . . 0.85999999999999999 111.153 -177.45 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 26.8 m -66.66 -42.58 86.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.686 0.279 . . . . 0.87 111.034 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -40.64 97.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.129 0.49 . . . . 1.4199999999999999 110.817 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 942' ' ' ARG . 1.9 m-85 -75.24 -38.06 60.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.348 -0.387 . . . . 1.5900000000000001 111.302 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.432 ' HA ' ' HE1' ' A' ' 825' ' ' MET . . . -63.41 -32.02 73.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.912 0.386 . . . . 0.60999999999999999 110.262 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -67.9 -44.81 76.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.025 -0.534 . . . . 1.8700000000000001 110.683 178.234 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.472 ' HD3' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -72.98 -35.55 66.9 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.639 -0.424 . . . . 3.1099999999999999 111.46 -176.087 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 34.6 m -72.28 -30.28 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.75 110.31 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 944' ' ' ARG . 18.8 mtt-85 -75.16 -26.8 59.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 3.5800000000000001 110.123 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -71.54 -46.81 58.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 2.7799999999999998 109.912 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 28.0 m -63.37 -36.39 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.3400000000000001 110.434 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 3.5299999999999998 110.468 177.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.249 -0.649 . . . . 1.8999999999999999 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.922 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -91.45 110.44 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.221 -0.9 . . . . 1.9299999999999999 111.049 -174.555 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 844' ' ' LEU . 4.4 mm -98.76 128.03 50.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.857 -0.61 . . . . 0.46999999999999997 109.615 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.67 HD13 HG11 ' A' ' 863' ' ' VAL . 19.8 tp -94.44 103.8 15.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 1.3700000000000001 110.116 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -92.71 101.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.744 0.783 . . . . 1.0600000000000001 110.349 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 875' ' ' ASP . 2.7 t -101.36 139.08 23.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.222 -0.899 . . . . 1.0700000000000001 110.13 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.659 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 8.6 t70 -153.44 134.01 13.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.665 -0.494 . . . . 1.3 109.665 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.18 -35.18 71.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.865 -0.607 . . . . 2.0299999999999998 111.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 0.5 OUTLIER -120.32 130.58 24.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.472 . . . . 2.1200000000000001 111.799 -174.598 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 72.0 Cg_exo -50.53 -35.56 46.47 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.144 3.229 . . . . 1.1200000000000001 114.981 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 tp -62.02 -47.83 91.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 121.134 0.492 . . . . 2.2599999999999998 111.41 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.659 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.7 OUTLIER -78.78 -29.09 44.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.504 -0.554 . . . . 1.8300000000000001 109.504 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -54.01 -51.11 65.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.863 -0.608 . . . . 2.7799999999999998 111.0 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 2.75 110.767 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -53.13 35.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.1399999999999999 111.009 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 1.4299999999999999 110.719 -178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.34 68.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.59999999999999998 111.011 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -36.83 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.3400000000000001 110.097 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.494 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -59.58 -43.36 93.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.748 -0.66 . . . . 1.8500000000000001 109.783 173.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 847' ' ' LEU . 49.9 tp -65.47 -32.87 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.678 -0.692 . . . . 1.24 110.508 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.22 92.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.028 -0.606 . . . . 0.52000000000000002 111.688 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 15.1 m -74.46 -21.7 59.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.69999999999999996 110.844 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 844' ' ' LEU . 1.7 mt -73.89 -31.41 63.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.973 0.416 . . . . 1.5600000000000001 110.407 174.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.5 13.74 64.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.897 -0.668 . . . . 0.62 113.13 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -96.19 172.74 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.74 0.27 . . . . 1.22 110.781 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.922 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.6 tp-100 -70.01 133.49 47.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 2.3799999999999999 110.208 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 6.6 t -109.14 112.97 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.836 0.351 . . . . 0.93999999999999995 111.134 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -115.23 112.17 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 1.4399999999999999 109.388 175.514 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.17 144.27 25.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.713 0.635 . . . . 0.62 112.713 -173.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -151.28 171.13 17.93 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.855 -0.611 . . . . 0.46999999999999997 109.358 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.57 71.66 1.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.086 0.772 . . . . 1.8999999999999999 113.086 -177.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.1 t70 162.06 164.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.17 0.988 . . . . 1.45 109.761 168.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.682 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -72.17 -41.19 54.36 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.935 -0.866 . . . . 0.57999999999999996 110.935 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.75 -30.88 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.94999999999999996 110.439 176.299 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 20.3 t0 -62.58 -32.67 73.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.83999999999999997 110.041 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.15 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.42 -0.809 . . . . 0.51000000000000001 110.903 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.4 pp -69.5 -27.7 65.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.318 . . . . 1.8500000000000001 110.745 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -51.69 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 1.72 109.758 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.65 -32.74 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.89000000000000001 110.24 176.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.735 HD11 HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -65.6 -32.6 74.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 1.6599999999999999 111.134 178.1 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.4 m -73.16 -28.9 62.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.81999999999999995 110.171 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -22.8 23.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.024 -0.534 . . . . 3.46 111.982 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -149.95 141.11 23.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.409 0.147 . . . . 1.8600000000000001 110.979 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -48.86 -65.89 0.49 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.681 0.613 . . . . 3.1200000000000001 112.472 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.0 OUTLIER 66.25 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 123.601 0.563 . . . . 1.0600000000000001 111.029 -173.007 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -103.86 -55.28 2.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 1.6399999999999999 110.806 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.9 mm -123.74 133.29 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.03 110.109 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.735 HG21 HD11 ' A' ' 864' ' ' LEU . 74.8 t -105.29 127.13 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.67000000000000004 111.094 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 900' ' ' ILE . 11.7 mt -119.02 98.99 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.963 -0.562 . . . . 0.87 109.545 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.568 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -94.39 96.75 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.141 0.496 . . . . 0.72999999999999998 110.075 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 0.3 OUTLIER -97.53 130.64 44.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.618 -0.719 . . . . 1.3400000000000001 110.611 -178.155 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 876' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 903' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.327 -0.397 . . . . 1.29 110.989 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 1.003 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.9 p90 . . . . . 0 CA--C 1.514 -0.418 0 CA-C-O 121.577 0.704 . . . . 2.8399999999999999 112.032 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.555 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.4 -24.77 57.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.199 -0.909 . . . . 3.3599999999999999 111.216 -164.424 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.682 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.5 OUTLIER -66.78 -34.79 78.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 122.122 0.963 . . . . 2.3399999999999999 108.868 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 887' ' ' THR . . . . . . . . . . . . . 31.5 m -80.57 -27.36 37.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.181 -1.372 . . . . 1.28 109.535 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 892' ' ' GLN . 0.4 OUTLIER -57.46 -45.51 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.336 -0.616 . . . . 2.1699999999999999 109.336 173.108 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.89 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.3 -0.864 . . . . 2.3599999999999999 110.759 175.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -63.0 -34.33 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.896 0.379 . . . . 1.71 110.761 177.423 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 917' ' ' SER . 1.2 ttp85 -67.03 -45.15 78.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.112 0.482 . . . . 2.2400000000000002 110.329 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 42.5 mt-30 -67.01 -24.16 65.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 2.6200000000000001 110.418 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -20.6 63.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 1.9099999999999999 111.346 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.44 4.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.514 -0.851 . . . . 1.1200000000000001 111.735 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -58.58 146.18 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.181 0.515 . . . . 2.8900000000000001 111.639 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.12 32.35 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.856 -0.611 . . . . 2.4900000000000002 110.534 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -151.16 158.63 34.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 1.3999999999999999 109.806 -177.69 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.495 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 6.2 Cg_exo -78.42 138.28 15.51 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.096 2.53 . . . . 0.72999999999999998 113.003 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.907 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.1 t -118.36 135.64 58.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.395 0.617 . . . . 0.64000000000000001 111.17 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.556 ' HB ' HD23 ' A' ' 873' ' ' LEU . 27.5 mt -118.15 131.15 71.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.751 -0.659 . . . . 0.64000000000000001 109.979 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -116.44 110.39 2.14 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.833 -0.699 . . . . 0.47999999999999998 111.842 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.457 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 23.5 t -98.6 113.55 33.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.462 -0.57 . . . . 1.04 109.462 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.41 ' HA ' HG23 ' A' ' 876' ' ' VAL . 44.1 p -113.78 156.08 24.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 0.89000000000000001 111.807 -170.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -109.52 104.91 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 1.1899999999999999 110.761 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.22 43.45 26.6 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.707 0.63 . . . . 2.7000000000000002 111.527 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -90.71 89.5 7.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.509 . . . . 2.8100000000000001 110.312 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.89 121.06 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.739 -0.664 . . . . 3.9300000000000002 111.374 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 68.96 27.15 5.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.495 -0.775 . . . . 2.0899999999999999 112.03 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.46 ' OE1' ' HG3' ' A' ' 910' ' ' GLU . 1.1 pm0 -65.67 -28.39 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.909 -0.404 . . . . 3.3100000000000001 109.909 176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.46 ' HG3' ' OE1' ' A' ' 909' ' ' GLU . 26.5 mt-10 -59.8 -37.11 78.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.865 -0.607 . . . . 3.5800000000000001 110.35 176.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -73.91 -36.2 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 2.29 110.593 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 1.003 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -71.1 -29.21 64.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.245 -0.582 . . . . 2.6499999999999999 110.231 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.704 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.1 OUTLIER -63.39 -35.21 79.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 4.0499999999999998 109.991 173.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.41 -26.51 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 1.6499999999999999 110.145 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.8799999999999999 111.841 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.704 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -77.89 -42.75 32.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.579 -0.448 . . . . 3.4700000000000002 111.546 -178.024 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 917' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 50.6 m 52.26 50.49 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.493 0.923 . . . . 1.3500000000000001 113.493 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -129.09 -8.31 3.76 Favored Glycine 0 C--N 1.317 -0.497 0 C-N-CA 120.158 -1.02 . . . . 1.02 111.724 173.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.907 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.1 ttm -78.83 -113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.264 . . . . 2.0099999999999998 110.913 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' A' ' 919' ' ' MET . 19.2 t0 160.43 -53.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.55 1.14 . . . . 1.26 109.23 174.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.5 m -131.51 140.66 49.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.913 -0.585 . . . . 1.26 111.146 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 3.8 m -123.01 130.63 53.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.322 -0.399 . . . . 1.1299999999999999 109.926 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 10.0 mt -120.83 177.08 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.886 0.374 . . . . 0.68999999999999995 110.925 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.74 139.66 33.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.746 -0.661 . . . . 0.89000000000000001 110.025 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.538 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 1.5 tptt -49.36 -39.63 40.58 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 113.523 0.934 . . . . 1.1100000000000001 113.523 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 44.0 Cg_endo -69.4 59.59 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.767 1.645 . . . . 1.01 112.567 171.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.9 166.66 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.338 -0.392 . . . . 1.3600000000000001 110.59 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.56 171.95 13.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 0.92000000000000004 110.322 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -60.15 -46.27 90.24 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 123.282 0.364 . . . . 0.92000000000000004 110.728 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 930' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 37.9 t70 -68.17 -41.53 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.961 -0.295 . . . . 1.8500000000000001 111.044 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 931' ' ' VAL . . . . . 0.401 ' HA ' ' NE2' ' A' ' 934' ' ' GLN . 11.2 t -60.77 -47.98 90.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.769 0.319 . . . . 0.93000000000000005 110.571 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -24.61 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 1.1799999999999999 110.274 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -40.26 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 1.8999999999999999 110.634 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 0.9 OUTLIER -61.33 -49.69 75.94 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.029 -0.36 . . . . 2.25 110.029 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -45.71 91.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.347 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.25 -49.19 72.86 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.37 -0.377 . . . . 0.85999999999999999 111.417 -178.04 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.0 m -65.18 -39.82 93.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.502 -0.317 . . . . 0.87 111.527 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -38.27 73.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 1.4199999999999999 110.597 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 2.6 m-30 -71.61 -36.42 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.383 . . . . 1.5900000000000001 110.56 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.58 -35.47 80.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.60999999999999999 110.859 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.1 -33.98 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.157 -0.312 . . . . 1.8700000000000001 110.157 177.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 14.6 tpp180 -65.98 -47.29 75.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.339 -0.391 . . . . 3.1099999999999999 110.31 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 31.9 m -71.62 -30.02 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.814 -0.354 . . . . 0.75 110.351 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 1.1 tpt180 -62.85 -50.49 70.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.314 -0.403 . . . . 3.5800000000000001 110.595 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.07 -39.38 93.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.991 -0.549 . . . . 2.7799999999999998 110.815 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 14.9 m -72.4 -25.24 61.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 1.3400000000000001 111.636 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 3.5299999999999998 110.557 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 825' ' ' MET . . . . . 0.448 ' HE1' HG21 ' A' ' 943' ' ' VAL . 1.6 mmt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.839 0.352 . . . . 1.8999999999999999 110.611 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 26.7 ttm -89.01 117.34 27.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 1.9299999999999999 110.121 177.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -111.17 136.79 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.46999999999999997 110.231 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.842 ' HB2' HG21 ' A' ' 869' ' ' ILE . 17.4 tp -105.15 119.14 38.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 1.3700000000000001 110.487 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.4 m -104.25 101.73 12.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.493 0.663 . . . . 1.0600000000000001 110.181 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.811 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -109.48 86.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 1.0700000000000001 111.485 -174.172 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -107.66 144.12 35.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.597 0.236 . . . . 1.3 110.945 -176.204 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.42 -9.58 44.15 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.728 0.64 . . . . 2.0299999999999998 112.728 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.3 OUTLIER -125.71 92.93 45.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.962 -0.461 . . . . 2.1200000000000001 110.638 -179.103 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 39.6 Cg_exo -29.31 -41.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.755 1 C-N-CA 126.222 4.615 . . . . 1.1200000000000001 116.869 -170.18 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -57.68 -36.35 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 120.877 0.37 . . . . 2.2599999999999998 111.523 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -72.87 -38.46 66.98 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.632 -0.507 . . . . 1.8300000000000001 109.632 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.529 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -53.4 -52.03 60.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 2.7799999999999998 111.211 179.473 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.639 ' HD2' ' HG ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -67.02 -34.95 78.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.444 -0.344 . . . . 2.75 111.23 -177.442 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.639 ' HG ' ' HD2' ' A' ' 838' ' ' ARG . 20.6 mt -71.4 -45.74 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.232 0.539 . . . . 1.1399999999999999 111.09 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.8 tp -68.16 -40.31 82.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.495 -0.775 . . . . 1.4299999999999999 110.498 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.88 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.59999999999999998 110.53 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -61.68 -50.78 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 1.3400000000000001 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.2 OUTLIER -62.01 -37.85 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 1.8500000000000001 111.035 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 12.4 tp -65.14 -37.86 88.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 1.24 110.828 177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.17 96.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.96 -0.564 . . . . 0.52000000000000002 112.108 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -27.74 69.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.888 0.375 . . . . 0.69999999999999996 110.595 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.684 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -68.14 -29.02 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 1.5600000000000001 110.754 177.236 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.91 19.62 53.02 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.863 -0.684 . . . . 0.62 111.661 -176.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.96 153.8 19.86 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 1.22 109.919 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 3.2 mm100 -69.29 128.79 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.923 0.392 . . . . 2.3799999999999999 110.604 -177.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 112.77 23.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.082 -0.508 . . . . 0.93999999999999995 110.986 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.08 123.02 48.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.18 -0.674 . . . . 1.4399999999999999 109.18 175.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 131.04 43.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.473 0.546 . . . . 0.62 112.473 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.811 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -149.18 174.44 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 0.46999999999999997 108.824 176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 7.5 p-10 -151.2 73.31 1.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.628 -0.829 . . . . 1.8999999999999999 113.143 -171.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.649 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.3 t70 162.9 156.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.807 0.843 . . . . 1.45 109.88 167.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.48 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -68.85 -41.17 83.72 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.189 -1.005 . . . . 0.57999999999999996 111.611 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.27 -30.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.752 0.31 . . . . 0.94999999999999996 110.656 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.88 -30.93 71.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.032 0.444 . . . . 0.83999999999999997 110.122 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.33 -44.58 88.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 0.51000000000000001 110.79 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.573 HD11 HG12 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -66.47 -38.73 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 1.8500000000000001 110.587 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.62 -52.05 67.2 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.604 -0.726 . . . . 1.72 110.943 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 869' ' ' ILE . 13.7 p -70.42 -31.48 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.293 -0.412 . . . . 0.89000000000000001 110.829 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 872' ' ' VAL . 0.2 OUTLIER -61.09 -37.54 83.1 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.434 -0.348 . . . . 1.6599999999999999 111.526 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.1 -34.29 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.814 0.34 . . . . 0.81999999999999995 110.466 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -56.02 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.964 -0.562 . . . . 3.46 110.927 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -131.79 137.92 48.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.874 -0.417 . . . . 1.8600000000000001 109.874 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -77.35 92.22 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.26 0.552 . . . . 3.1200000000000001 111.447 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.842 HG21 ' HB2' ' A' ' 828' ' ' LEU . 1.4 mp -78.97 143.09 13.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.933 -1.136 . . . . 1.0600000000000001 107.933 166.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -25.95 17.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.435 0.532 . . . . 1.6399999999999999 112.435 -169.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 22.6 mm -129.85 125.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.243 -0.28 . . . . 1.03 110.243 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.52 HG22 HD21 ' A' ' 864' ' ' LEU . 11.7 t -98.23 123.24 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.67000000000000004 110.936 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' A' ' 900' ' ' ILE . 28.1 mt -121.11 98.22 5.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.884 -0.413 . . . . 0.87 109.884 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 33.6 p -91.56 103.73 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 0.72999999999999998 109.847 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.843 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 17.1 t0 -87.17 105.22 17.05 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.551 -0.75 . . . . 1.3400000000000001 110.159 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 27.6 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.811 -0.631 . . . . 1.29 111.207 -171.228 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.563 ' HD2' ' HG2' ' A' ' 916' ' ' GLU . 33.1 p90 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 122.602 1.191 . . . . 2.8399999999999999 111.349 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.787 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 1.1 tmm_? -55.02 -28.92 55.83 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.744 -1.116 . . . . 3.3599999999999999 109.948 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.711 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -63.79 -25.23 68.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.205 0.526 . . . . 2.3399999999999999 109.667 -177.684 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.711 ' N ' HD13 ' A' ' 886' ' ' LEU . 0.6 OUTLIER -71.54 -31.32 66.89 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.1 -1.074 . . . . 1.28 108.1 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.682 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.3 tt0 -65.64 -44.06 87.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.532 -1.213 . . . . 2.1699999999999999 110.428 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.513 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -60.74 -38.63 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 2.3599999999999999 110.34 177.445 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 861' ' ' LEU . 56.0 mt -59.58 -51.01 77.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.064 -0.516 . . . . 1.71 111.031 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 917' ' ' SER . 0.1 OUTLIER -63.24 -41.52 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 2.2400000000000002 110.85 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.24 -30.71 70.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 2.6200000000000001 110.718 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -55.48 9.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 1.9099999999999999 109.874 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.67 72.53 0.25 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.732 -0.747 . . . . 1.1200000000000001 111.928 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 895' ' ' LEU . 0.7 OUTLIER -67.72 135.64 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 2.8900000000000001 110.689 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.15 -1.22 14.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.113 -0.494 . . . . 2.4900000000000002 110.406 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.31 158.63 71.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.65 -0.704 . . . . 1.3999999999999999 110.194 -174.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.27 129.63 26.11 Favored 'Trans proline' 0 C--O 1.244 0.822 0 C-N-CA 123.131 2.554 . . . . 0.72999999999999998 113.571 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 12.0 t -111.59 121.77 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.64000000000000001 110.252 174.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.564 ' HB ' HD23 ' A' ' 873' ' ' LEU . 1.1 mt -114.31 116.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.73 -0.668 . . . . 0.64000000000000001 109.497 176.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -102.5 126.64 8.94 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.449 -0.881 . . . . 0.47999999999999998 112.136 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.633 HG22 HD12 ' A' ' 923' ' ' LEU . 2.1 t -91.12 95.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.203 -0.665 . . . . 1.04 109.203 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.91 173.46 7.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.815 -0.63 . . . . 0.89000000000000001 111.445 -173.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -142.99 103.66 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.643 0.258 . . . . 1.1899999999999999 110.869 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 905' ' ' ASN . . . . . 0.418 ' HB3' ' H ' ' A' ' 906' ' ' ALA . 17.1 t-20 63.96 -103.64 0.11 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.553 -0.749 . . . . 2.7000000000000002 111.291 175.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.418 ' H ' ' HB3' ' A' ' 905' ' ' ASN . . . 58.62 18.24 5.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.966 0.506 . . . . 2.8100000000000001 111.642 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.2 mp 69.95 -53.64 0.62 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.702 0.801 . . . . 3.9300000000000002 111.713 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -139.92 71.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.424 -0.353 . . . . 2.0899999999999999 110.384 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 2.5 pt-20 -61.6 -50.74 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 3.3100000000000001 111.537 -177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -61.15 -40.94 95.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 3.5800000000000001 110.588 -179.026 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -36.52 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.754 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.7 mp0 -73.4 -31.0 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 2.6499999999999999 109.992 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.696 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 11.5 ttp180 -66.73 -27.53 67.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.829 -0.623 . . . . 4.0499999999999998 110.085 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 70.3 m -76.27 -30.34 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 1.6499999999999999 110.638 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -51.32 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 1.8799999999999999 111.075 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.695 ' HG3' ' HA ' ' A' ' 885' ' ' ARG . 8.9 mm-40 -78.05 -25.77 47.97 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.946 -0.57 . . . . 3.4700000000000002 110.564 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 917' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 50.52 53.12 13.5 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.476 1.658 . . . . 1.3500000000000001 115.476 166.796 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.54 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.29 25.63 2.48 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.413 -1.375 . . . . 1.02 113.966 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.762 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.1 ttt -113.94 -100.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.563 0.681 . . . . 2.0099999999999998 111.734 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.468 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.3 t70 160.5 -57.33 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.364 -1.289 . . . . 1.26 107.711 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 58.4 m -147.59 160.27 42.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.116 -0.947 . . . . 1.26 110.749 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.696 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -133.01 147.54 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 1.1299999999999999 110.41 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.633 HD12 HG22 ' A' ' 902' ' ' VAL . 0.2 OUTLIER -126.62 -175.69 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.502 -0.555 . . . . 0.68999999999999995 109.502 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.96 135.83 50.89 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.287 -0.165 . . . . 0.89000000000000001 111.008 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.501 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -43.64 -47.47 19.38 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.494 0.924 . . . . 1.1100000000000001 113.494 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 22.0 Cg_exo -67.8 60.14 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.102 1.868 . . . . 1.01 112.445 174.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 1.1 t -89.33 143.4 11.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 1.3600000000000001 110.41 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.62 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.435 -0.348 . . . . 0.92000000000000004 111.413 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -55.53 -40.15 71.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.04 -0.527 . . . . 0.92000000000000004 111.512 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.6 -43.24 60.21 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.941 -0.304 . . . . 1.8500000000000001 111.109 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.65 -45.48 97.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.069 0.462 . . . . 0.93000000000000005 110.621 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 847' ' ' LEU . 3.4 tt -65.0 -28.87 45.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.211 -0.45 . . . . 1.1799999999999999 110.719 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 933' ' ' LYS . 0.3 OUTLIER -69.05 -47.61 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.523 -0.308 . . . . 1.8999999999999999 111.472 -178.486 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.436 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -64.39 -44.85 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 2.25 110.423 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.605 -0.271 . . . . 0.62 111.477 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.684 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.4 OUTLIER -57.08 -56.61 19.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.318 0.58 . . . . 0.85999999999999999 110.667 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.7 m -61.86 -41.01 97.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.06 -0.973 . . . . 0.87 111.373 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 1.4199999999999999 111.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' ' 943' ' ' VAL . 10.2 m-85 -83.16 -27.33 30.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.159 0.429 . . . . 1.5900000000000001 112.159 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.69 96.66 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.311 0.577 . . . . 0.60999999999999999 110.102 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 5.2 pt-20 -74.23 -26.97 60.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.868 -0.605 . . . . 1.8700000000000001 110.35 177.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 5.6 ttt180 -69.08 -48.48 62.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 3.1099999999999999 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 939' ' ' TYR . 5.7 m -65.14 -33.87 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.75 110.386 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -65.26 -43.06 92.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 3.5800000000000001 110.459 175.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.6 mtmm -64.32 -45.67 86.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 2.7799999999999998 110.915 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.8 m -63.57 -41.03 98.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 1.3400000000000001 111.935 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.951 0.405 . . . . 3.5299999999999998 111.063 -178.346 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.608 -0.515 . . . . 1.8999999999999999 109.608 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.507 ' CG ' ' HA ' ' A' ' 869' ' ' ILE . 0.7 OUTLIER -91.22 124.46 35.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.286 0.565 . . . . 1.9299999999999999 110.643 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.2 mm -112.97 132.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.216 -0.902 . . . . 0.46999999999999997 109.615 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.634 ' HB2' HG21 ' A' ' 869' ' ' ILE . 22.1 tp -100.99 111.66 23.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.676 0.274 . . . . 1.3700000000000001 110.895 -176.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 873' ' ' LEU . 1.5 m -92.5 95.59 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.54 . . . . 1.0600000000000001 109.812 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.21 82.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 1.0700000000000001 110.924 -176.001 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.511 ' OD2' ' HB2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -104.53 138.75 40.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.918 0.389 . . . . 1.3 110.731 -176.37 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -18.6 35.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.832 -0.622 . . . . 2.0299999999999998 112.234 -175.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 3.0 m80 -128.61 102.04 20.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 121.91 -0.494 . . . . 2.1200000000000001 110.946 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 7.9 Cg_exo -30.21 -41.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.807 1 C-N-CA 126.901 5.068 . . . . 1.1200000000000001 117.184 -165.547 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -34.89 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 117.93 0.332 . . . . 2.2599999999999998 111.636 -175.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.17 -25.24 29.73 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.465 -0.494 . . . . 1.8300000000000001 111.205 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 5.5 ttp-105 -62.2 -53.35 56.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 2.7799999999999998 110.4 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.42 91.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.813 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 839' ' ' LEU . 2.1 mt -65.95 -41.59 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 1.1399999999999999 110.784 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.461 HD11 HD13 ' A' ' 932' ' ' ILE . 15.9 tp -66.47 -37.53 85.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 1.4299999999999999 110.433 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.65 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.59999999999999998 110.537 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.09 -45.5 81.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 1.3400000000000001 109.793 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.602 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -63.47 -40.81 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.706 -0.679 . . . . 1.8500000000000001 110.572 177.342 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.9 tp -62.87 -32.35 73.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 1.24 110.694 176.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.43 91.44 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.825 -0.625 . . . . 0.52000000000000002 111.977 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.69999999999999996 110.226 175.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -34.3 67.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.882 -0.599 . . . . 1.5600000000000001 110.182 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 83.71 25.28 46.8 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.624 -0.717 . . . . 0.62 112.243 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 849' ' ' TYR . . . . . 0.425 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 0.6 OUTLIER -99.77 167.54 10.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 1.22 111.399 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.55 127.05 31.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.845 -0.616 . . . . 2.3799999999999999 110.785 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.7 m -105.66 119.12 38.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.151 -0.477 . . . . 0.93999999999999995 110.625 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -110.86 116.52 31.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 1.4399999999999999 109.672 177.587 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 129.17 35.83 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.452 0.538 . . . . 0.62 112.452 -172.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.765 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -156.78 163.81 38.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.457 -0.942 . . . . 0.46999999999999997 108.457 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -146.85 70.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.292 -0.963 . . . . 1.8999999999999999 112.712 -171.435 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.64 158.23 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.399 1.062 . . . . 1.45 109.504 171.529 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -65.07 -45.9 90.42 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.24 -0.505 . . . . 0.57999999999999996 113.246 -176.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 34.9 m -74.74 -29.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 117.195 0.497 . . . . 0.94999999999999996 112.006 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.15 -28.02 69.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.889 0.376 . . . . 0.83999999999999997 110.444 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -61.11 -38.02 84.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.51000000000000001 110.132 173.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 890' ' ' ILE . 3.2 mm? -67.82 -40.32 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 1.8500000000000001 110.215 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.86 -53.37 59.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.609 -0.723 . . . . 1.72 110.545 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 869' ' ' ILE . 12.0 p -67.55 -32.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.261 -0.427 . . . . 0.89000000000000001 110.716 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.1 OUTLIER -63.11 -40.17 96.83 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.954 0.407 . . . . 1.6599999999999999 110.519 176.198 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 12.8 m -69.24 -27.31 65.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.452 . . . . 0.81999999999999995 110.555 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -45.45 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 3.46 111.551 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.33 146.32 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 1.8600000000000001 110.774 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.07 112.39 9.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.279 0.561 . . . . 3.1200000000000001 111.255 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.634 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -96.43 145.37 8.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.076 -1.083 . . . . 1.0600000000000001 108.076 168.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 870' ' ' ASP . . . . . 0.45 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.2 m-20 -90.18 -47.13 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.843 -0.343 . . . . 1.6399999999999999 111.535 -173.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.669 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.4 mm -122.24 122.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.849 -0.426 . . . . 1.03 109.849 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.07 124.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.955 -0.298 . . . . 0.67000000000000004 110.781 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.803 -0.443 . . . . 0.87 109.803 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.58 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.72999999999999998 110.673 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.657 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 61.8 t0 -102.98 120.07 39.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.38 -0.827 . . . . 1.3400000000000001 110.456 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.235 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 1.058 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.415 0.626 . . . . 2.8399999999999999 111.123 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -59.21 -27.38 65.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.675 -0.693 . . . . 3.3599999999999999 112.231 -168.111 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.508 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.2 OUTLIER -72.82 -26.46 61.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.535 1.159 . . . . 2.3399999999999999 108.58 -171.243 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 887' ' ' THR . . . . . 1.081 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 56.7 m -84.89 -24.67 28.4 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 113.953 -1.476 . . . . 1.28 108.843 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 11.8 tm0? -56.84 -39.71 74.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.116 -0.698 . . . . 2.1699999999999999 109.116 169.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 889' ' ' ARG . 0.0 OUTLIER -58.38 -43.95 88.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.512 -0.767 . . . . 2.3599999999999999 109.95 170.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.932 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.3 OUTLIER -53.8 -41.32 47.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.921 0.391 . . . . 1.71 110.68 175.014 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 2.2400000000000002 110.992 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.73 -40.05 82.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 2.6200000000000001 110.535 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -49.45 33.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.806 -0.634 . . . . 1.9099999999999999 110.194 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.78 92.18 2.25 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.082 -0.807 . . . . 1.1200000000000001 111.082 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.698 HD13 ' HG ' ' A' ' 897' ' ' LEU . 0.5 OUTLIER -88.49 155.04 19.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.383 0.611 . . . . 2.8900000000000001 111.74 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.5 t -124.95 13.19 8.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 2.4900000000000002 109.51 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -139.2 159.67 65.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.11 -0.95 . . . . 1.3999999999999999 110.263 -174.067 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.65 139.02 12.33 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 123.104 2.536 . . . . 0.72999999999999998 113.117 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.775 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 68.2 t -112.73 122.31 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.437 0.636 . . . . 0.64000000000000001 110.821 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 0.0 OUTLIER -100.92 112.78 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.685 -0.689 . . . . 0.64000000000000001 109.198 174.072 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.37 104.37 3.16 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.519 -0.848 . . . . 0.47999999999999998 112.576 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.2 t -79.62 94.23 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.812 . . . . 1.04 108.806 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 0.6 OUTLIER -107.88 130.9 54.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.051 0.453 . . . . 0.89000000000000001 112.167 -171.249 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -119.14 128.81 54.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.816 -0.629 . . . . 1.1899999999999999 109.842 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 65.84 22.61 11.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.194 0.521 . . . . 2.7000000000000002 111.33 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 903' ' ' THR . . . -113.69 90.87 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 2.8100000000000001 109.984 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 168.71 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 3.9300000000000002 111.118 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 60.96 34.14 19.54 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.415 0.626 . . . . 2.0899999999999999 109.796 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -70.9 -26.22 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.057 -0.974 . . . . 3.3100000000000001 111.622 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.76 -48.29 69.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.244 -0.65 . . . . 3.5800000000000001 109.244 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -35.32 78.54 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.509 -0.769 . . . . 2.29 110.818 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 1.058 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -68.69 -36.94 79.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.472 -0.491 . . . . 2.6499999999999999 109.855 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.483 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -61.51 -31.53 71.53 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.647 0.592 . . . . 4.0499999999999998 110.457 177.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.24 -34.68 59.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.247 -0.433 . . . . 1.6499999999999999 110.722 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.31 -51.88 21.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 1.8799999999999999 111.956 -178.037 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 1.081 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -77.16 -31.77 55.77 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.984 -0.376 . . . . 3.4700000000000002 109.984 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.61 51.58 15.78 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.648 0.981 . . . . 1.3500000000000001 113.648 172.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -143.64 -2.94 0.87 Allowed Glycine 0 C--N 1.317 -0.492 0 C-N-CA 119.548 -1.31 . . . . 1.02 112.765 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.775 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.0 OUTLIER -77.92 -128.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 2.0099999999999998 111.552 -175.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 919' ' ' MET . 6.6 t70 173.77 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.512 -0.921 . . . . 1.26 108.512 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 11.4 m -142.03 140.47 32.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.688 -0.687 . . . . 1.26 110.336 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 140.27 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.429 -0.35 . . . . 1.1299999999999999 110.797 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.472 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -134.96 -179.65 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.68999999999999995 110.333 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.549 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -106.54 158.95 16.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.975 -0.557 . . . . 0.89000000000000001 110.147 179.179 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.699 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.9 tptt -52.18 -48.85 87.63 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.764 0.653 . . . . 1.1100000000000001 112.764 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 8.2 Cg_exo -73.29 70.02 3.97 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.038 1.825 . . . . 1.01 112.565 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.21 117.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.532 . . . . 1.3600000000000001 110.792 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.02 157.45 25.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.92000000000000004 110.918 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -53.51 -46.54 70.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.92000000000000004 111.378 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 930' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 1.7 t0 -75.0 -27.31 60.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.831 -0.348 . . . . 1.8500000000000001 111.406 -176.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.67 -47.63 75.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 0.93000000000000005 109.237 176.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -68.55 -21.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 1.1799999999999999 110.521 176.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -68.93 -43.23 75.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 1.8999999999999999 111.051 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.484 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.03 -42.33 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.305 -0.558 . . . . 2.25 110.08 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.57 82.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.62 111.207 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.03 -49.93 75.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.85999999999999999 110.706 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 87.3 m -62.27 -44.25 96.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.106 -0.497 . . . . 0.87 111.285 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 3.2 tp -65.81 -38.85 90.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 1.4199999999999999 111.048 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.675 ' HA ' ' HD2' ' A' ' 942' ' ' ARG . 3.8 m-30 -72.24 -41.69 66.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.379 -0.373 . . . . 1.5900000000000001 110.8 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.71 95.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.60999999999999999 111.307 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -68.71 -39.09 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.808 -0.357 . . . . 1.8700000000000001 110.268 178.41 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.675 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -68.1 -40.89 82.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.394 -0.366 . . . . 3.1099999999999999 111.32 -176.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.34 -30.28 30.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.75 110.345 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.12 98.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.735 -0.468 . . . . 3.5800000000000001 109.735 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -64.91 -43.81 91.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.582 . . . . 2.7799999999999998 110.077 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.8 m -63.95 -17.54 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.114 -0.493 . . . . 1.3400000000000001 111.937 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.576 0.227 . . . . 3.5299999999999998 111.284 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.218 0.533 . . . . 1.8999999999999999 110.627 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.473 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 17.3 mtm -94.39 124.02 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.513 -0.767 . . . . 1.9299999999999999 110.46 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.512 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.2 mm -116.62 137.18 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.548 -0.751 . . . . 0.46999999999999997 110.046 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.713 HD22 HD13 ' A' ' 869' ' ' ILE . 23.9 tp -106.63 107.5 18.54 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.276 -0.42 . . . . 1.3700000000000001 110.14 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.48 95.64 4.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 1.0600000000000001 110.194 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 854' ' ' ALA . 3.5 t -105.78 140.99 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 1.0700000000000001 109.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.747 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.39 149.01 20.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.111 -0.329 . . . . 1.3 110.111 173.463 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -16.71 34.69 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.224 0.453 . . . . 2.0299999999999998 112.224 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -118.31 90.15 37.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 119.824 -0.131 . . . . 2.1200000000000001 110.672 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -34.32 -35.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.829 1 C-N-CA 125.507 4.138 . . . . 1.1200000000000001 116.568 -168.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -58.09 -38.2 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.852 0.358 . . . . 2.2599999999999998 111.139 178.729 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.06 -27.8 30.02 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.211 -0.306 . . . . 1.8300000000000001 110.37 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 4.1 ttp180 -55.06 -49.05 72.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.233 0.54 . . . . 2.7799999999999998 110.375 172.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.3 OUTLIER -66.82 -36.54 82.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 2.75 110.616 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.09 73.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 1.1399999999999999 111.399 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.01 -41.83 97.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.4299999999999999 110.272 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.64 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.59999999999999998 110.887 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -48.4 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.329 0.585 . . . . 1.3400000000000001 110.232 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.61 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.62 -32.62 73.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 1.8500000000000001 110.45 178.44 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 851' ' ' CYS . 13.7 tp -65.67 -31.91 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 1.24 110.199 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.65 91.04 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.841 -0.618 . . . . 0.52000000000000002 111.788 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -35.31 75.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.769 0.319 . . . . 0.69999999999999996 110.214 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -50.13 44.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.056 0.455 . . . . 1.5600000000000001 110.462 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.33 22.66 21.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.86 -0.686 . . . . 0.62 112.952 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.51 175.86 6.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.006 -0.368 . . . . 1.22 110.006 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.6 OUTLIER -69.61 119.21 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.686 0.279 . . . . 2.3799999999999999 111.23 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.623 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -104.53 103.24 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.93999999999999995 110.936 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -105.07 113.51 27.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.887 -0.412 . . . . 1.4399999999999999 109.887 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.88 145.46 24.73 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.944 0.72 . . . . 0.62 112.944 -172.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.546 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -146.77 170.02 17.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.529 -1.285 . . . . 0.46999999999999997 107.529 171.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 2.0 p-10 -145.01 72.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.102 -1.039 . . . . 1.8999999999999999 112.991 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.614 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 4.4 t70 162.78 160.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.094 0.871 . . . . 1.45 109.264 172.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.579 ' O ' HD13 ' A' ' 886' ' ' LEU . . . -68.08 -49.85 44.25 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.502 -0.856 . . . . 0.57999999999999996 110.966 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -72.41 -28.47 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.576 0.226 . . . . 0.94999999999999996 110.905 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.2 t0 -58.39 -32.5 68.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.83999999999999997 110.453 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -63.81 -35.24 79.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.51000000000000001 110.672 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 861' ' ' LEU . 3.5 mm? -64.54 -39.52 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 1.8500000000000001 110.242 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -51.82 59.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 1.72 110.579 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 860' ' ' ALA . 9.0 p -67.1 -32.17 56.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.586 -0.279 . . . . 0.89000000000000001 111.349 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.61 -31.89 71.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.957 0.408 . . . . 1.6599999999999999 111.214 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 30.4 m -79.08 -21.04 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.908 0.385 . . . . 0.81999999999999995 110.769 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -43.18 13.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 3.46 111.019 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.08 150.0 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.469 -0.332 . . . . 1.8600000000000001 110.569 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.58 93.63 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.999 0.428 . . . . 3.1200000000000001 110.921 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.713 HD13 HD22 ' A' ' 828' ' ' LEU . 1.2 mp -81.04 155.81 4.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.241 -0.651 . . . . 1.0600000000000001 109.241 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -67.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.524 -0.47 . . . . 1.6399999999999999 111.034 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 48.8 mm -94.39 116.61 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.339 -0.391 . . . . 1.03 110.174 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.638 HG13 HD23 ' A' ' 828' ' ' LEU . 53.4 t -106.37 123.15 60.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.599 0.238 . . . . 0.67000000000000004 110.795 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 900' ' ' ILE . 1.1 mt -121.22 114.57 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.417 . . . . 0.87 109.942 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.523 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 6.4 p -111.04 107.3 16.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.743 0.306 . . . . 0.72999999999999998 110.387 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 60.6 t0 -92.23 121.31 33.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.791 -0.641 . . . . 1.3400000000000001 110.723 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.769 -0.65 . . . . 1.29 109.896 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.644 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 1.1 p90 . . . . . 0 C--O 1.239 0.54 0 CA-C-O 122.353 1.073 . . . . 2.8399999999999999 110.474 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.1 OUTLIER -58.43 -26.96 63.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.164 -1.38 . . . . 3.3599999999999999 111.58 -176.309 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 857' ' ' GLY . 0.3 OUTLIER -67.8 -27.17 66.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.274 -1.01 . . . . 2.3399999999999999 108.274 -175.459 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.907 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -80.23 -26.06 39.28 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 113.894 -1.503 . . . . 1.28 108.22 -178.561 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 3.6 tp-100 -62.84 -40.09 96.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 2.1699999999999999 109.416 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -36.9 83.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.3599999999999999 110.176 177.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' A' ' 895' ' ' LEU . 75.9 mt -62.14 -35.65 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.71 110.303 176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.702 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -65.13 -36.46 84.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 2.2400000000000002 110.519 176.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -76.74 -18.81 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.206 0.527 . . . . 2.6200000000000001 110.483 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -25.53 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 1.9099999999999999 110.432 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 83.15 80.37 1.0 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 1.1200000000000001 111.933 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' A' ' 890' ' ' ILE . 1.0 OUTLIER -73.43 142.41 46.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.09 0.471 . . . . 2.8900000000000001 111.257 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 20.71 6.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.668 -0.696 . . . . 2.4900000000000002 109.525 174.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.6 160.66 55.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.16 -0.927 . . . . 1.3999999999999999 110.209 -172.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.6 113.18 3.72 Favored 'Trans proline' 0 C--O 1.24 0.575 0 C-N-CA 122.711 2.274 . . . . 0.72999999999999998 112.262 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.748 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 32.6 t -99.09 110.08 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.303 0.573 . . . . 0.64000000000000001 110.048 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 873' ' ' LEU . 0.7 OUTLIER -101.79 107.37 21.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.395 0.617 . . . . 0.64000000000000001 109.829 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.66 101.64 2.66 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.504 -0.771 . . . . 0.47999999999999998 112.616 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 30.5 t -75.84 121.08 26.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.527 -0.916 . . . . 1.04 108.527 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -134.29 139.66 45.86 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.663 -0.415 . . . . 0.89000000000000001 111.661 -173.136 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -105.37 104.14 13.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 1.1899999999999999 110.049 173.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 50.03 67.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.627 -0.715 . . . . 2.7000000000000002 111.812 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -89.43 5.58 44.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.395 -0.366 . . . . 2.8100000000000001 110.256 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.7 mt 59.76 83.48 0.13 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.337 -0.847 . . . . 3.9300000000000002 110.797 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 65.16 52.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.586 -0.734 . . . . 2.0899999999999999 110.413 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.821 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 1.5 pm0 -57.37 -22.84 45.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.565 -0.743 . . . . 3.3100000000000001 111.576 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -58.77 -48.21 82.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 3.5800000000000001 110.354 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.72 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 2.29 110.375 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.644 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.0 mp0 -64.22 -40.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 2.6499999999999999 110.253 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -59.94 -39.83 86.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 4.0499999999999998 110.744 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 33.5 m -73.05 -32.42 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 1.6499999999999999 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -47.58 59.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.007 -0.542 . . . . 1.8799999999999999 111.123 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.907 ' HB2' HG22 ' A' ' 887' ' ' THR . 24.7 mm-40 -78.04 -24.18 47.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.007 0.432 . . . . 3.4700000000000002 110.313 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 917' ' ' SER . . . . . 0.702 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER 51.21 50.98 17.9 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.937 1.088 . . . . 1.3500000000000001 113.937 170.576 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.39 26.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.682 -0.77 . . . . 1.02 112.543 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.748 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.2 ttm -113.81 -110.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.963 0.411 . . . . 2.0099999999999998 111.544 -173.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 919' ' ' MET . 10.0 t70 163.73 -60.17 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.761 -1.2 . . . . 1.26 107.761 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.11 163.71 36.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.028 -0.987 . . . . 1.26 109.601 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 139.99 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 1.1299999999999999 110.927 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 902' ' ' VAL . 1.7 mt -122.59 -175.14 3.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 0.68999999999999995 109.522 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.5 m -111.27 151.2 28.6 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.563 -0.162 . . . . 0.89000000000000001 110.563 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.702 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 4.6 tttp -47.97 -42.53 49.04 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.436 0.902 . . . . 1.1100000000000001 113.436 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.6 Cg_endo -65.13 61.45 0.32 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.172 1.915 . . . . 1.01 113.574 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.63 81.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.587 -0.523 . . . . 1.3600000000000001 109.587 173.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -176.82 3.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 0.92000000000000004 110.588 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -29.81 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.311 0.576 . . . . 0.92000000000000004 109.613 175.524 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -68.06 -61.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 1.8500000000000001 109.884 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.68 -43.14 86.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.579 -0.737 . . . . 0.93000000000000005 111.587 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 936' ' ' LEU . 3.0 tt -68.44 -32.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.925 0.343 . . . . 1.1799999999999999 111.925 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -44.84 37.4 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 1.8999999999999999 111.844 -176.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -42.9 98.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.41 -0.516 . . . . 2.25 110.029 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.4 m -67.69 -50.2 58.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.62 111.509 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.62 -50.31 73.09 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.751 -0.204 . . . . 0.85999999999999999 111.286 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 11.6 m -61.69 -44.2 97.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.469 -0.332 . . . . 0.87 111.689 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -69.43 -36.05 76.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.731 0.301 . . . . 1.4199999999999999 111.294 -177.146 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 943' ' ' VAL . 12.4 m-85 -81.16 -32.19 33.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.818 -0.353 . . . . 1.5900000000000001 111.461 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.03 0.443 . . . . 0.60999999999999999 110.667 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.8 OUTLIER -71.73 -34.05 69.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.573 -0.451 . . . . 1.8700000000000001 110.307 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.589 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.58 -42.93 91.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.684 -0.234 . . . . 3.1099999999999999 111.251 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 17.2 m -72.71 -30.66 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.585 -0.446 . . . . 0.75 110.566 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -70.21 -43.74 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 3.5800000000000001 111.071 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -73.32 -33.87 65.39 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.001 -0.28 . . . . 2.7799999999999998 111.092 -179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 34.1 m -73.69 -19.04 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 1.3400000000000001 110.857 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 3.5299999999999998 110.269 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 825' ' ' MET . . . . . 0.577 ' SD ' ' HB1' ' A' ' 940' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.844 0.354 . . . . 1.8999999999999999 111.132 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.4 ptp -113.94 122.57 47.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.144 0.497 . . . . 1.9299999999999999 110.596 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 2.7 mm -119.09 140.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.478 -0.783 . . . . 0.46999999999999997 110.074 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.892 ' HB2' HG21 ' A' ' 869' ' ' ILE . 11.6 tp -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.3700000000000001 110.938 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.471 HG13 HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.2 98.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.444 0.64 . . . . 1.0600000000000001 109.904 176.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 854' ' ' ALA . 21.0 t -109.62 143.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.53 -0.759 . . . . 1.0700000000000001 110.106 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.49 146.04 18.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.056 -0.72 . . . . 1.3 109.056 171.639 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -13.29 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.529 0.566 . . . . 2.0299999999999998 112.529 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.9 OUTLIER -130.95 92.97 32.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 O-C-N 122.198 -0.314 . . . . 2.1200000000000001 110.744 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 67.6 Cg_exo -22.86 -44.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 1 C-N-CA 127.257 5.305 . . . . 1.1200000000000001 118.02 -167.198 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.7 OUTLIER -55.31 -37.04 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 117.994 0.361 . . . . 2.2599999999999998 111.958 -175.511 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -75.05 -39.46 60.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.904 -0.318 . . . . 1.8300000000000001 110.18 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.883 ' HD3' ' HB ' ' A' ' 853' ' ' THR . 6.9 ttm180 -58.07 -47.66 82.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 2.7799999999999998 111.535 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -67.95 -35.32 78.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 2.75 111.14 -177.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.35 75.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.071 0.463 . . . . 1.1399999999999999 110.384 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 932' ' ' ILE . 14.7 tp -63.27 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 1.4299999999999999 110.533 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.45 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.59999999999999998 111.36 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.54 -44.2 75.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 1.3400000000000001 109.777 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -61.81 -49.63 75.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.405 -0.816 . . . . 1.8500000000000001 110.394 177.174 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 42.6 tp -60.21 -41.59 93.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.929 -0.578 . . . . 1.24 111.066 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.78 -33.75 88.09 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.976 -0.63 . . . . 0.52000000000000002 112.205 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 21.9 m -68.63 -26.99 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.319 . . . . 0.69999999999999996 111.026 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' A' ' 936' ' ' LEU . 17.7 mt -71.27 -36.81 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 1.5600000000000001 110.58 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 113.35 33.35 1.96 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.643 -0.789 . . . . 0.62 112.362 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -119.31 160.24 22.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.057 -0.349 . . . . 1.22 110.057 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 116.25 23.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 2.3799999999999999 110.271 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 108.67 20.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.93999999999999995 111.614 -176.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.465 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.1 OUTLIER -98.36 113.76 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.135 -0.691 . . . . 1.4399999999999999 109.135 174.551 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.883 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 25.5 p -90.84 149.13 22.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.218 0.533 . . . . 0.62 112.052 -171.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.667 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.7 172.48 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.284 -0.871 . . . . 0.46999999999999997 109.393 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.59 70.54 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.158 -0.617 . . . . 1.8999999999999999 112.104 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t70 161.39 166.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.288 1.035 . . . . 1.45 109.593 170.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.528 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -75.41 -42.55 27.4 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.602 -0.809 . . . . 0.57999999999999996 111.123 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.425 HG22 ' OD1' ' A' ' 856' ' ' ASP . 14.9 m -73.29 -28.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.94999999999999996 110.677 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.8 t0 -55.45 -41.41 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.308 0.575 . . . . 0.83999999999999997 109.88 172.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.378 -0.828 . . . . 0.51000000000000001 110.96 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 890' ' ' ILE . 2.8 mm? -57.78 -44.28 86.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.095 0.474 . . . . 1.8500000000000001 110.948 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.67 -52.54 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.642 -0.708 . . . . 1.72 111.064 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.717 ' HA ' ' HE2' ' A' ' 866' ' ' LYS . 13.5 p -65.83 -32.83 59.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.89000000000000001 111.043 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 872' ' ' VAL . 7.8 mt -65.03 -34.57 78.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.864 0.364 . . . . 1.6599999999999999 110.981 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.5 m -70.58 -35.23 72.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.81999999999999995 110.642 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 863' ' ' VAL . 27.3 mtmt -80.03 -30.64 39.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.15 -0.477 . . . . 3.46 111.439 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -154.39 136.17 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 1.8600000000000001 110.353 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -78.06 97.37 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.119 0.485 . . . . 3.1200000000000001 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.892 HG21 ' HB2' ' A' ' 828' ' ' LEU . 3.3 mp -75.91 132.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 107.445 -1.317 . . . . 1.0600000000000001 107.445 165.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.41 -39.87 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.284 -0.567 . . . . 1.6399999999999999 111.626 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 940' ' ' ALA . 7.8 mt -131.32 131.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.282 -0.266 . . . . 1.03 110.282 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 864' ' ' LEU . 53.9 t -115.07 124.22 71.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.571 -0.286 . . . . 0.67000000000000004 110.829 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -114.98 111.39 21.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.914 -0.402 . . . . 0.87 109.914 176.659 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.508 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -105.99 110.62 22.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.986 0.422 . . . . 0.72999999999999998 110.629 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 52.0 t0 -94.94 125.75 39.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.689 . . . . 1.3400000000000001 110.54 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.128 -0.487 . . . . 1.29 110.41 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 1.062 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.8 p90 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.878 0.846 . . . . 2.8399999999999999 111.518 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.649 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.29 -27.4 62.11 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.939 -1.028 . . . . 3.3599999999999999 110.535 -168.326 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.596 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -29.24 70.06 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.692 0.758 . . . . 2.3399999999999999 109.871 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 887' ' ' THR . . . . . 1.064 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 87.4 m -85.35 -24.88 27.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.088 -0.96 . . . . 1.28 109.046 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 22.7 tt0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.915 -0.772 . . . . 2.1699999999999999 108.915 170.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -30.78 63.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.153 -0.931 . . . . 2.3599999999999999 110.209 173.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.62 ' HB ' ' HA ' ' A' ' 887' ' ' THR . 1.0 OUTLIER -60.56 -46.97 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.35 -0.386 . . . . 1.71 110.938 176.292 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.8 OUTLIER -69.65 -30.67 68.41 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.699 -0.4 . . . . 2.2400000000000002 110.395 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -39.63 87.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.246 0.546 . . . . 2.6200000000000001 110.572 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -46.79 33.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 1.9099999999999999 110.39 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 128.54 83.35 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.328 -0.709 . . . . 1.1200000000000001 111.328 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 138.53 57.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.174 0.512 . . . . 2.8900000000000001 111.381 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.29 33.77 1.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.723 -0.671 . . . . 2.4900000000000002 109.767 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.52 155.62 13.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 1.3999999999999999 110.214 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.01 131.59 13.31 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 123.058 2.505 . . . . 0.72999999999999998 112.398 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.714 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.8 t -108.66 128.64 64.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.115 -0.493 . . . . 0.64000000000000001 110.073 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 55.0 mt -117.41 112.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.835 -0.621 . . . . 0.64000000000000001 109.766 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.3 115.65 4.97 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.65 -0.786 . . . . 0.47999999999999998 112.573 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -85.58 125.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.023 -1.103 . . . . 1.04 108.023 173.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 909' ' ' GLU . 4.1 p -137.91 148.6 45.47 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.442 -0.503 . . . . 0.89000000000000001 111.938 -169.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.01 102.96 9.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.294 -0.412 . . . . 1.1899999999999999 110.413 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 47.66 54.97 9.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.355 -0.839 . . . . 2.7000000000000002 112.188 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.683 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -89.52 51.66 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.158 -0.474 . . . . 2.8100000000000001 110.723 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.455 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.82 -102.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.461 -0.791 . . . . 3.9300000000000002 110.303 -177.383 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.455 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -120.7 92.19 3.71 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.21 -0.663 . . . . 2.0899999999999999 109.21 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.683 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 41.6 mp0 -60.44 -35.7 76.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.084 -0.507 . . . . 3.3100000000000001 111.404 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -65.38 -27.88 68.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.99 0.424 . . . . 3.5800000000000001 110.124 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -36.02 57.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.953 -0.567 . . . . 2.29 110.59 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 1.062 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -75.06 -29.78 60.83 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.689 -0.804 . . . . 2.6499999999999999 109.562 176.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.491 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 9.3 ttp85 -62.55 -36.25 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.367 0.603 . . . . 4.0499999999999998 109.888 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 96.9 m -74.2 -30.62 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 1.6499999999999999 110.299 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.0 OUTLIER -70.76 -52.57 19.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 1.8799999999999999 111.398 -178.426 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 1.064 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.41 -26.38 41.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.497 -0.32 . . . . 3.4700000000000002 110.734 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.5 50.26 17.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.87 1.063 . . . . 1.3500000000000001 113.87 173.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.408 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -148.36 -16.35 0.11 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.487 -1.34 . . . . 1.02 114.216 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.717 ' O ' ' HB2' ' A' ' 920' ' ' ASP . 4.9 mmt -62.82 -111.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.46 0.541 . . . . 2.0099999999999998 112.46 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.717 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.1 t0 153.79 -58.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.439 1.096 . . . . 1.26 109.608 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.51 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.7 OUTLIER -125.63 150.43 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 1.26 110.44 -178.508 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.36 132.78 36.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.23 -0.441 . . . . 1.1299999999999999 109.933 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 178.73 6.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.68999999999999995 110.639 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 159.53 15.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.191 -0.459 . . . . 0.89000000000000001 110.131 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.45 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 1.0 OUTLIER -59.33 -48.42 96.09 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.702 0.63 . . . . 1.1100000000000001 112.702 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.4 Cg_exo -74.69 68.41 5.48 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.241 1.96 . . . . 1.01 112.684 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.44 116.18 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.181 -0.463 . . . . 1.3600000000000001 110.521 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 176.7 9.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.191 -0.459 . . . . 0.92000000000000004 111.759 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -56.2 -46.96 79.23 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.271 -0.422 . . . . 0.92000000000000004 111.458 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.59 -37.92 49.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.713 -0.395 . . . . 1.8500000000000001 111.791 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.2 -44.67 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.394 0.616 . . . . 0.93000000000000005 109.754 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.845 HG23 HD23 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -61.74 -38.45 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.346 -0.843 . . . . 1.1799999999999999 109.686 174.36 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -63.23 -48.72 77.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 1.8999999999999999 112.027 -176.854 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -47.28 84.57 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.69 -0.404 . . . . 2.25 110.869 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 5.2 m -65.11 -44.31 89.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.62 111.518 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.845 HD23 HG23 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -64.15 -57.4 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.85999999999999999 111.473 -178.496 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 937' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 941' ' ' GLU . 11.2 m -56.87 -46.01 82.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 0.87 111.389 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.5 OUTLIER -58.78 -53.01 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.472 -0.331 . . . . 1.4199999999999999 111.369 -177.596 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.502 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.4 OUTLIER -75.12 -46.97 30.96 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.926 0.343 . . . . 1.5900000000000001 111.926 -174.391 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 871' ' ' ILE . . . -62.52 -42.11 99.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.60999999999999999 111.512 -176.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 937' ' ' THR . 0.0 OUTLIER -74.64 -29.96 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.785 -0.366 . . . . 1.8700000000000001 110.263 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 938' ' ' LEU . 0.0 OUTLIER -63.77 -47.56 80.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.701 -0.227 . . . . 3.1099999999999999 110.422 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 939' ' ' TYR . 1.7 m -69.48 -39.07 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.683 -0.407 . . . . 0.75 110.375 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 944' ' ' ARG . 2.4 ttp180 -61.6 -48.58 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 3.5800000000000001 110.961 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -18.38 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.756 -0.202 . . . . 2.7799999999999998 111.519 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 70.4 m -69.61 -40.26 76.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 1.3400000000000001 110.354 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 947' ' ' ARG . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 3.5299999999999998 110.243 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 110.283 -0.265 . . . . 1.8999999999999999 110.283 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.485 ' HG3' ' HA ' ' A' ' 869' ' ' ILE . 11.0 ptp -111.9 122.07 46.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.526 0.679 . . . . 1.9299999999999999 110.213 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.741 HG23 ' HB ' ' A' ' 871' ' ' ILE . 4.6 mm -107.86 138.76 32.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.903 -1.044 . . . . 0.46999999999999997 109.506 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 830' ' ' VAL . 39.0 tp -95.14 108.79 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.077 0.465 . . . . 1.3700000000000001 110.672 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.411 HG12 ' HG ' ' A' ' 840' ' ' LEU . 0.1 OUTLIER -98.63 95.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.505 -0.771 . . . . 1.0600000000000001 110.009 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.853 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.16 142.13 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.472 -0.785 . . . . 1.0700000000000001 109.886 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -150.77 151.98 33.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.28 -0.267 . . . . 1.3 110.28 176.176 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -17.44 20.6 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.864 0.364 . . . . 2.0299999999999998 111.661 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.06 88.06 44.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 122.302 -0.249 . . . . 2.1200000000000001 110.431 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -25.27 -45.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 1 C-N-CA 126.51 4.806 . . . . 1.1200000000000001 117.538 -166.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -30.43 41.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.87 0.367 . . . . 2.2599999999999998 111.585 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.34 -33.47 43.01 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 110.268 -0.271 . . . . 1.8300000000000001 110.268 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.1 ttp180 -57.43 -40.69 78.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.17 0.51 . . . . 2.7799999999999998 110.37 171.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -58.79 -46.6 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 2.75 110.447 178.114 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.559 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -72.89 -37.34 67.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 1.1399999999999999 111.164 -177.748 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.411 ' HG ' HG12 ' A' ' 829' ' ' VAL . 20.9 tp -65.81 -41.82 91.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.654 -0.703 . . . . 1.4299999999999999 110.674 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.96 62.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.556 . . . . 0.59999999999999998 110.732 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.22 -46.72 69.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.673 -0.491 . . . . 1.3400000000000001 109.673 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.658 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -60.02 -44.43 94.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 1.8500000000000001 110.314 176.552 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.74 -41.81 99.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 1.24 110.74 178.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -64.38 -29.74 75.91 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.52000000000000002 112.278 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 16.4 m -70.08 -29.69 66.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.69999999999999996 110.151 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.602 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -69.16 -28.99 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 1.5600000000000001 110.129 175.238 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.99 0.67 61.8 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.797 -0.638 . . . . 0.62 112.662 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -93.76 165.15 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.762 0.315 . . . . 1.22 110.908 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -68.27 120.23 14.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.554 . . . . 2.3799999999999999 110.171 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 109.84 21.91 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.237 -0.438 . . . . 0.93999999999999995 110.523 -177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.418 ' O ' HD12 ' A' ' 828' ' ' LEU . 4.2 mptt -98.09 110.67 23.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.499 -0.556 . . . . 1.4399999999999999 109.499 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.9 133.43 37.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.62 112.202 -173.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.853 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -139.1 179.1 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.42 -0.809 . . . . 0.46999999999999997 109.077 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -140.53 75.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.047 -0.661 . . . . 1.8999999999999999 112.388 -169.624 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.721 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 2.3 t70 164.22 -176.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.077 0.86 . . . . 1.45 109.946 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.95 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -97.28 -41.42 3.46 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.407 -1.077 . . . . 0.57999999999999996 110.407 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.72 -30.98 30.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.94999999999999996 110.244 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.721 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -60.5 -32.34 71.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.83999999999999997 110.404 179.284 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -58.99 -40.74 85.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.555 -0.748 . . . . 0.51000000000000001 110.869 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.764 HD11 HD23 ' A' ' 893' ' ' LEU . 5.3 tp -75.04 -37.03 61.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.258 -0.428 . . . . 1.8500000000000001 110.601 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.41 -48.2 76.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.163 0.506 . . . . 1.72 110.76 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.92 -30.46 50.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.491 . . . . 0.89000000000000001 110.243 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 897' ' ' LEU . 0.8 OUTLIER -65.63 -32.79 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 1.6599999999999999 110.489 173.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 3.1 m -75.46 -15.73 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 0.81999999999999995 110.311 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -45.95 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 3.46 112.53 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.34 -176.89 3.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 1.8600000000000001 111.52 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.49 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 3.1200000000000001 111.428 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.8 mp -79.17 149.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.195 -0.298 . . . . 1.0600000000000001 110.195 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.79 -45.33 5.5 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.911 0.337 . . . . 1.6399999999999999 111.911 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.741 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.1 mm -122.4 135.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.023 -0.362 . . . . 1.03 110.023 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 828' ' ' LEU . 46.9 t -122.61 120.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.67000000000000004 111.561 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -129.93 115.9 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 0.87 109.656 175.285 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 132.27 54.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.569 0.223 . . . . 0.72999999999999998 110.63 -176.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.75 ' HA ' HG12 ' A' ' 902' ' ' VAL . 52.7 t0 -101.46 126.81 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.665 -0.698 . . . . 1.3400000000000001 110.952 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 876' ' ' VAL . . . . . 0.582 ' HB ' HG22 ' A' ' 903' ' ' THR . 14.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.143 -0.48 . . . . 1.29 110.575 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.862 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.2 p90 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 122.0 0.905 . . . . 2.8399999999999999 109.729 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.15 -25.86 65.83 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.048 -0.978 . . . . 3.3599999999999999 111.731 -168.34 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.95 HD22 ' HA3' ' A' ' 857' ' ' GLY . 3.6 pp -65.64 -28.64 69.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.376 -0.972 . . . . 2.3399999999999999 108.376 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.703 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 4.0 m -73.75 -36.09 65.1 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 113.987 -1.46 . . . . 1.28 109.227 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.589 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.4 tm0? -62.85 -48.48 78.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.333 -0.849 . . . . 2.1699999999999999 110.257 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -59.85 -33.99 72.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.695 -0.684 . . . . 2.3599999999999999 110.808 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.685 ' HA ' HD13 ' A' ' 861' ' ' LEU . 10.3 mt -61.19 -50.58 79.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 1.71 110.678 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -73.38 -23.39 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.069 0.462 . . . . 2.2400000000000002 111.157 -178.673 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -48.54 38.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 2.6200000000000001 110.431 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 893' ' ' LEU . . . . . 0.764 HD23 HD11 ' A' ' 861' ' ' LEU . 39.5 tp -73.34 -66.36 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 1.9099999999999999 110.626 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 163.34 99.6 0.14 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.409 -0.9 . . . . 1.1200000000000001 112.329 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.3 pt? -92.03 168.32 11.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.058 0.456 . . . . 2.8900000000000001 110.595 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 896' ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' ' 897' ' ' LEU . 20.8 m -157.73 -26.71 0.08 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 2.4900000000000002 110.052 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 864' ' ' LEU . 0.6 OUTLIER -100.79 160.54 26.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.589 -0.732 . . . . 1.3999999999999999 110.221 -174.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.99 118.04 5.45 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.305 2.003 . . . . 0.72999999999999998 110.282 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.839 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.0 t -96.86 106.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.64000000000000001 110.478 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.0 OUTLIER -96.37 107.65 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.568 -0.742 . . . . 0.64000000000000001 109.767 176.821 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.78 96.8 2.19 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.501 -0.772 . . . . 0.47999999999999998 112.273 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 1.024 HG23 ' HB2' ' A' ' 923' ' ' LEU . 0.4 OUTLIER -81.38 119.17 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 1.04 108.317 174.11 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.582 HG22 ' HB ' ' A' ' 876' ' ' VAL . 2.1 p -143.11 163.42 32.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.801 -0.562 . . . . 0.89000000000000001 111.955 -169.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.57 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.92 -0.582 . . . . 1.1899999999999999 110.747 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 67.28 29.07 7.78 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.219 0.822 . . . . 2.7000000000000002 113.219 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.932 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -93.86 -9.3 37.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.584 -0.446 . . . . 2.8100000000000001 110.944 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 0.4 OUTLIER 77.32 -44.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.643 0.777 . . . . 3.9300000000000002 112.187 173.49 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -140.75 56.81 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.969 0.414 . . . . 2.0899999999999999 110.324 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.932 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 53.4 mp0 -55.42 -49.11 73.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.805 -0.634 . . . . 3.3100000000000001 111.312 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -33.37 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.578 -0.737 . . . . 3.5800000000000001 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -38.13 72.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.817 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.862 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.2 mp0 -74.42 -29.57 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.755 -0.778 . . . . 2.6499999999999999 109.721 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.577 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 6.4 ttp85 -59.58 -41.53 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.031 -0.531 . . . . 4.0499999999999998 109.901 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 63.8 m -73.1 -40.26 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 1.6499999999999999 111.449 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.423 ' HB3' ' OE2' ' A' ' 916' ' ' GLU . 1.3 mm? -70.98 -51.5 25.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.881 0.372 . . . . 1.8799999999999999 111.739 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.713 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 4.5 mm-40 -77.41 -24.04 50.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.971 0.415 . . . . 3.4700000000000002 110.49 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.41 51.91 15.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.409 1.263 . . . . 1.3500000000000001 114.409 167.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.604 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.22 25.67 2.49 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.267 -0.968 . . . . 1.02 112.073 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.839 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.8 ttt -108.12 -118.8 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.936 0.398 . . . . 2.0099999999999998 111.5 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.0 t70 168.16 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.945 -1.025 . . . . 1.26 108.448 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 900' ' ' ILE . 15.3 m -143.82 163.77 32.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.223 -0.899 . . . . 1.26 109.982 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.577 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 35.9 m -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.665 0.269 . . . . 1.1299999999999999 110.498 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 1.024 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.7 OUTLIER -137.69 -176.22 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.68999999999999995 110.023 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.28 137.98 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.678 -0.237 . . . . 0.89000000000000001 110.532 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.614 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 18.1 tttp -39.73 -50.19 5.45 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 113.622 0.971 . . . . 1.1100000000000001 113.622 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 15.7 Cg_exo -70.8 67.05 2.37 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.196 1.931 . . . . 1.01 113.078 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.94 126.42 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.552 -0.294 . . . . 1.3600000000000001 110.65 175.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 175.87 7.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.508 -0.315 . . . . 0.92000000000000004 111.053 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.7 OUTLIER -58.76 -45.85 88.81 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.186 -0.461 . . . . 0.92000000000000004 111.121 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -44.68 87.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 1.8500000000000001 110.793 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.6 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.93000000000000005 110.924 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.3 tt -63.26 -34.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.485 -0.325 . . . . 1.1799999999999999 110.614 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -31.83 70.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.783 -0.19 . . . . 1.8999999999999999 110.879 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -61.39 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 2.25 110.061 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.48 93.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.581 . . . . 0.62 111.889 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -58.34 -65.3 0.67 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.238 -0.437 . . . . 0.85999999999999999 111.189 -178.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 1.6 m -64.02 -34.0 77.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.606 -0.725 . . . . 0.87 112.146 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -49.89 65.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.068 0.461 . . . . 1.4199999999999999 110.98 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' ' 943' ' ' VAL . 9.4 m-85 -74.03 -30.67 62.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 1.5900000000000001 110.924 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.68 87.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.60999999999999999 110.838 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -69.69 -31.02 68.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.415 -0.357 . . . . 1.8700000000000001 110.375 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.775 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 2.2 mtt85 -66.35 -48.01 71.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 3.1099999999999999 110.808 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 939' ' ' TYR . 13.3 m -71.51 -30.26 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.732 0.301 . . . . 0.75 110.256 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -50.44 71.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 3.5800000000000001 110.947 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.775 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.4 OUTLIER -70.22 -35.41 73.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.927 -0.309 . . . . 2.7799999999999998 111.003 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.8 m -69.76 -20.89 63.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.846 0.355 . . . . 1.3400000000000001 111.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.94 0.4 . . . . 3.5299999999999998 110.437 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.193 0.52 . . . . 1.8999999999999999 111.513 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.456 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.4 OUTLIER -109.75 121.5 45.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 1.9299999999999999 110.212 179.041 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 3.3 mm -114.52 141.12 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.979 -0.555 . . . . 0.46999999999999997 109.716 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.421 HD23 HG13 ' A' ' 872' ' ' VAL . 8.4 tp -104.81 112.45 25.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.975 0.416 . . . . 1.3700000000000001 110.787 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 1.5 m -98.43 107.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.728 . . . . 1.0600000000000001 110.321 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.885 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 27.1 t -105.19 142.72 17.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.621 -0.718 . . . . 1.0700000000000001 109.825 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.57 139.88 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.102 0.251 . . . . 1.3 110.346 173.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -89.33 -6.9 56.31 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.485 0.55 . . . . 2.0299999999999998 112.485 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' A' ' 831' ' ' ASP . 3.6 t-80 -114.92 93.76 35.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 121.986 -0.446 . . . . 2.1200000000000001 110.853 -176.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -32.61 -50.73 0.37 Allowed 'Trans proline' 0 N--CA 1.482 0.805 0 C-N-CA 125.068 3.845 . . . . 1.1200000000000001 116.241 -168.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.402 ' H ' HG22 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.0 -40.01 74.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.377 0.608 . . . . 2.2599999999999998 111.079 -178.093 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.503 ' CG ' ' HE3' ' A' ' 925' ' ' LYS . 12.0 m120 -73.23 -31.22 64.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.637 -0.711 . . . . 1.8300000000000001 110.324 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.18 -51.03 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 2.7799999999999998 110.718 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.55 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.01 -48.07 76.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 2.75 110.451 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.55 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.61 -30.83 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.1399999999999999 111.739 -173.364 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.62 -44.26 67.6 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 1.4299999999999999 109.976 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.92 68.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.59999999999999998 110.223 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.25 -53.44 52.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 1.3400000000000001 109.818 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.645 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.77 -41.95 87.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.59 -0.732 . . . . 1.8500000000000001 110.745 177.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.56 -42.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.736 -0.666 . . . . 1.24 110.473 178.044 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.12 -35.85 89.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.743 -0.662 . . . . 0.52000000000000002 112.447 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.5 m -67.34 -28.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.67 0.271 . . . . 0.69999999999999996 111.025 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.59 ' HG ' HD23 ' A' ' 936' ' ' LEU . 0.7 OUTLIER -65.83 -36.21 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 1.5600000000000001 110.363 176.062 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.62 5.04 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.78 -0.724 . . . . 0.62 112.56 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -123.13 155.01 37.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.319 -0.252 . . . . 1.22 110.319 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.73 132.19 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.622 0.249 . . . . 2.3799999999999999 110.593 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.0 100.3 9.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.173 -0.467 . . . . 0.93999999999999995 111.11 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -89.29 120.89 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.074 -0.713 . . . . 1.4399999999999999 109.074 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.66 144.14 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.5 0.555 . . . . 0.62 112.5 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.864 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.38 163.07 40.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.581 -0.736 . . . . 0.46999999999999997 109.256 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 4.7 p30 -142.46 72.87 1.39 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.025 -0.67 . . . . 1.8999999999999999 112.442 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 9.0 t0 163.92 156.17 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.102 -0.954 . . . . 1.45 109.626 172.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.42 -46.81 74.9 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.386 -0.912 . . . . 0.57999999999999996 111.337 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -67.24 -30.76 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.626 0.25 . . . . 0.94999999999999996 111.19 176.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -62.22 -35.97 80.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.979 0.418 . . . . 0.83999999999999997 110.407 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -59.73 -48.19 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.692 -0.685 . . . . 0.51000000000000001 111.686 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 0.9 OUTLIER -74.68 -29.6 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 1.8500000000000001 110.553 179.615 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 862' ' ' ASN . . . . . 0.453 ' O ' ' HE2' ' A' ' 866' ' ' LYS . 8.8 t-20 -60.92 -52.72 63.85 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.139 -0.482 . . . . 1.72 110.85 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.84 -30.95 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.443 . . . . 0.89000000000000001 110.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -61.49 -35.28 77.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 1.6599999999999999 111.0 176.355 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -29.8 66.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.151 0.5 . . . . 0.81999999999999995 110.058 176.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 866' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 862' ' ' ASN . 0.2 OUTLIER -72.27 -53.63 11.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 3.46 111.099 178.702 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -144.26 156.93 44.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.117 -0.492 . . . . 1.8600000000000001 110.202 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 137.32 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.257 0.551 . . . . 3.1200000000000001 111.308 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.72 146.4 30.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.37 -0.974 . . . . 1.0600000000000001 108.37 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.32 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 1.6399999999999999 111.285 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.37 137.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 1.03 109.902 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 897' ' ' LEU . 11.3 t -111.79 123.19 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.696 0.284 . . . . 0.67000000000000004 110.737 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.804 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -119.97 109.92 16.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.439 -0.578 . . . . 0.87 109.439 175.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.885 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -111.91 117.0 31.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.753 0.311 . . . . 0.72999999999999998 110.987 -177.599 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 14.1 t0 -85.72 106.1 16.73 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.557 0.694 . . . . 1.3400000000000001 110.481 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 114.642 -1.163 . . . . 1.29 109.428 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.793 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 6.2 p90 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 122.239 1.019 . . . . 2.8399999999999999 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.08 -26.63 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.111 -1.404 . . . . 3.3599999999999999 110.994 -173.7 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.701 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -66.75 -31.2 71.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.006 -0.543 . . . . 2.3399999999999999 109.927 -174.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.812 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.4 OUTLIER -77.69 -27.58 50.77 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.735 -0.839 . . . . 1.28 108.735 177.376 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 4.5 tm0? -62.32 -45.06 94.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.324 0.583 . . . . 2.1699999999999999 109.748 170.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -28.84 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.603 -0.726 . . . . 2.3599999999999999 110.609 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 887' ' ' THR . 97.3 mt -68.83 -39.88 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.44 -0.345 . . . . 1.71 110.455 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.45 60.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.937 0.398 . . . . 2.2400000000000002 110.304 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -71.73 -41.29 68.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.287 0.565 . . . . 2.6200000000000001 110.018 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -40.65 84.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.449 -0.796 . . . . 1.9099999999999999 110.584 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.97 75.84 1.2 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.882 -0.675 . . . . 1.1200000000000001 111.523 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.459 HD23 ' H ' ' A' ' 895' ' ' LEU . 0.5 OUTLIER -61.4 131.97 51.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 2.8900000000000001 111.529 -177.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.31 12.79 27.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.321 0.581 . . . . 2.4900000000000002 109.95 176.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 864' ' ' LEU . 0.5 OUTLIER -156.4 155.12 28.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.331 -0.849 . . . . 1.3999999999999999 109.7 -174.218 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.429 ' HB2' ' HE1' ' A' ' 939' ' ' TYR . 17.3 Cg_exo -68.04 136.93 39.48 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 122.893 2.395 . . . . 0.72999999999999998 112.786 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.864 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 20.7 t -112.44 125.23 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.865 -0.607 . . . . 0.64000000000000001 110.624 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.804 HD12 HD23 ' A' ' 873' ' ' LEU . 0.3 OUTLIER -108.67 112.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.68 -0.489 . . . . 0.64000000000000001 109.68 176.053 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 901' ' ' GLY . . . . . 0.418 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -90.87 112.36 4.1 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.776 -0.726 . . . . 0.47999999999999998 112.214 -177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -84.44 109.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.997 -0.742 . . . . 1.04 108.997 178.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 66.8 p -116.23 164.14 14.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.12 0.486 . . . . 0.89000000000000001 111.577 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.69 102.9 4.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.868 -0.605 . . . . 1.1899999999999999 110.732 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.4 t30 47.22 60.82 3.21 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.948 0.78 . . . . 2.7000000000000002 112.688 173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -97.73 45.31 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 2.8100000000000001 110.057 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.3 mt 67.53 -77.54 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.21 -0.905 . . . . 3.9300000000000002 111.325 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -142.01 52.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.226 0.536 . . . . 2.0899999999999999 110.054 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 14.3 pm0 -63.69 -27.5 69.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.668 -0.696 . . . . 3.3100000000000001 112.013 -174.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 909' ' ' GLU . 4.3 tp10 -62.01 -46.16 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.481 . . . . 3.5800000000000001 109.74 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -38.01 77.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.005 -0.543 . . . . 2.29 110.739 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.793 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -70.47 -31.18 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.519 -0.472 . . . . 2.6499999999999999 110.317 -178.461 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.441 ' HG3' ' SD ' ' A' ' 919' ' ' MET . 3.3 tmm_? -62.24 -41.56 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.777 -0.453 . . . . 4.0499999999999998 109.777 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 37.9 m -65.92 -31.56 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.798 -0.637 . . . . 1.6499999999999999 110.51 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.28 -52.16 17.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.255 -0.43 . . . . 1.8799999999999999 111.5 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.812 ' HB2' HG22 ' A' ' 887' ' ' THR . 13.4 mm-40 -72.43 -24.58 61.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.364 -0.38 . . . . 3.4700000000000002 111.524 -175.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 6.4 m 50.85 52.23 15.37 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.147 1.166 . . . . 1.3500000000000001 114.147 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -140.32 25.93 2.59 Favored Glycine 0 C--N 1.319 -0.41 0 C-N-CA 120.359 -0.924 . . . . 1.02 112.769 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.864 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.4 ttm -117.0 -117.98 0.32 Allowed 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.717 -0.284 . . . . 2.0099999999999998 111.096 -176.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.1 t70 171.7 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.544 -0.91 . . . . 1.26 108.544 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 900' ' ' ILE . 14.6 m -145.07 163.39 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.091 -0.959 . . . . 1.26 110.173 177.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 145.47 43.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 1.1299999999999999 110.285 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 71.5 mt -130.52 178.07 6.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.489 . . . . 0.68999999999999995 109.976 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.7 OUTLIER -115.33 136.4 53.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.489 -0.323 . . . . 0.89000000000000001 110.263 178.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 836' ' ' ASN . 15.5 tttp -46.21 -50.29 38.57 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 112.898 0.703 . . . . 1.1100000000000001 112.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.6 Cg_endo -72.64 63.6 3.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 121.891 1.727 . . . . 1.01 112.914 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 927' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -85.26 134.55 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.454 . . . . 1.3600000000000001 110.397 178.758 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 171.36 8.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.464 . . . . 0.92000000000000004 111.217 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.645 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -61.03 -47.51 86.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.29 -0.414 . . . . 0.92000000000000004 111.401 -177.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.97 -34.72 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.672 -0.411 . . . . 1.8500000000000001 110.652 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.85 -47.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.93000000000000005 110.421 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 929' ' ' LEU . 3.9 tt -64.96 -28.23 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-O 120.78 0.324 . . . . 1.1799999999999999 110.572 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -48.36 73.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 1.8999999999999999 111.119 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.465 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -63.27 -49.63 73.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 2.25 110.664 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.2 m -62.65 -44.5 96.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.62 111.63 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.59 HD23 ' HG ' ' A' ' 847' ' ' LEU . 9.4 tp -69.25 -38.53 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.671 -0.24 . . . . 0.85999999999999999 111.365 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 94.7 m -66.82 -44.74 80.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.68 0.276 . . . . 0.87 110.774 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -45.27 90.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 1.4199999999999999 110.523 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.429 ' HE1' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.53 -46.03 81.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.885 -0.598 . . . . 1.5900000000000001 111.245 -178.298 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.97 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.60999999999999999 111.183 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.1 OUTLIER -64.82 -48.68 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 1.8700000000000001 110.282 178.796 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 9.2 ptt85 -69.11 -34.02 74.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.068 -0.514 . . . . 3.1099999999999999 111.766 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 33.4 m -75.79 -32.5 24.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.932 0.396 . . . . 0.75 110.404 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -50.33 72.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.097 -0.501 . . . . 3.5800000000000001 109.948 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -77.26 -15.67 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 2.7799999999999998 111.417 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 4.0 m -64.81 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.24 -0.184 . . . . 1.3400000000000001 110.934 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 C-N-CA 120.588 -0.445 . . . . 3.5299999999999998 110.949 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.236 0.379 0 CA-C-O 121.091 0.472 . . . . 1.8999999999999999 111.555 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 869' ' ' ILE . 11.4 ttp -118.28 123.71 46.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.723 -0.671 . . . . 1.9299999999999999 110.142 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.633 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.7 mm -118.08 146.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 0.46999999999999997 110.727 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.6 OUTLIER -100.29 115.7 30.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 1.3700000000000001 110.675 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.515 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -102.18 106.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.492 0.663 . . . . 1.0600000000000001 109.783 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 15.5 t -120.48 133.5 66.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.836 -0.62 . . . . 1.0700000000000001 111.697 -173.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -151.77 131.45 13.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.472 -0.936 . . . . 1.3 108.472 167.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -36.51 69.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.098 0.475 . . . . 2.0299999999999998 110.372 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.34 163.33 20.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 2.1200000000000001 109.933 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.76 -20.71 7.61 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 121.822 1.681 . . . . 1.1200000000000001 113.663 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -70.27 -49.13 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 112.231 0.456 . . . . 2.2599999999999998 112.231 -172.462 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.469 ' HB2' ' HE3' ' A' ' 925' ' ' LYS . 5.1 t30 -83.47 -21.88 32.74 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.626 -0.509 . . . . 1.8300000000000001 109.626 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -63.73 -50.98 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.843 -0.617 . . . . 2.7799999999999998 110.4 174.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -65.6 -33.86 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 2.75 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -51.49 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 1.1399999999999999 111.229 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -68.92 -30.92 69.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 1.4299999999999999 111.074 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.9 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.237 -0.283 . . . . 0.59999999999999998 110.237 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -70.6 -37.09 73.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 1.3400000000000001 109.857 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.668 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.4 OUTLIER -59.55 -46.52 88.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.51 -0.768 . . . . 1.8500000000000001 110.1 175.109 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.633 HD21 ' HB ' ' A' ' 827' ' ' ILE . 22.4 tp -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.24 110.657 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.89 -33.34 86.79 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.374 -0.69 . . . . 0.52000000000000002 111.374 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 2.0 m -70.1 -30.74 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.921 -0.399 . . . . 0.69999999999999996 109.921 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -35.15 79.41 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.991 -0.55 . . . . 1.5600000000000001 110.011 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.89 24.71 40.56 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.715 -0.675 . . . . 0.62 112.07 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -108.32 170.47 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.254 . . . . 1.22 110.964 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 5.3 tp-100 -66.23 122.75 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 2.3799999999999999 110.492 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.4 m -102.91 108.08 19.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.833 0.349 . . . . 0.93999999999999995 111.065 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -96.73 116.47 29.19 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.377 -0.601 . . . . 1.4399999999999999 109.377 175.802 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 137.55 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.378 0.51 . . . . 0.62 112.378 -173.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.49 166.66 29.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 0.46999999999999997 109.057 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.2 p-10 -143.8 72.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.233 -0.587 . . . . 1.8999999999999999 112.049 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.968 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 42.3 t0 163.45 156.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 114.762 -1.108 . . . . 1.45 109.022 173.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.604 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -68.5 -43.62 76.55 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.366 -0.921 . . . . 0.57999999999999996 111.275 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.751 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.63 -28.98 25.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.765 0.317 . . . . 0.94999999999999996 110.552 178.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.968 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.4 t0 -53.85 -39.71 65.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.928 0.394 . . . . 0.83999999999999997 110.57 174.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -60.3 -34.72 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.51000000000000001 111.015 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 858' ' ' VAL . 6.6 mp -66.98 -45.98 76.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 1.8500000000000001 110.38 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.09 -46.51 83.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.035 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.509 HG11 HD21 ' A' ' 828' ' ' LEU . 2.2 t -62.33 -37.59 79.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.967 -1.015 . . . . 0.89000000000000001 110.501 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 864' ' ' LEU . 0.2 OUTLIER -68.36 -36.31 79.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 1.6599999999999999 111.157 178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 18.6 m -67.33 -27.84 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.81999999999999995 111.118 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 866' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 0.2 OUTLIER -88.56 -54.0 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.876 177.808 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 1.8600000000000001 110.268 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -88.82 129.74 35.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 3.1200000000000001 110.541 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 826' ' ' MET . 1.0 OUTLIER -121.64 144.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.33 -0.618 . . . . 1.0600000000000001 109.33 -179.265 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.68 -60.07 3.79 Favored 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.295 0.372 . . . . 1.6399999999999999 111.242 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 140.35 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 1.03 110.288 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.484 HG23 HD11 ' A' ' 897' ' ' LEU . 55.9 t -114.75 124.63 71.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 121.06 -0.256 . . . . 0.67000000000000004 111.39 -176.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.48 109.53 19.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.401 -0.592 . . . . 0.87 109.401 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.873 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -118.98 118.57 31.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.753 0.311 . . . . 0.72999999999999998 111.364 -176.156 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 875' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -93.09 118.64 31.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.944 -0.571 . . . . 1.3400000000000001 110.421 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.501 -0.772 . . . . 1.29 110.597 -179.023 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 1.055 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 5.2 p90 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.586 0.708 . . . . 2.8399999999999999 112.603 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.52 ' C ' ' HD2' ' A' ' 885' ' ' ARG . 0.6 OUTLIER -55.51 -29.62 59.19 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 113.255 0.835 . . . . 3.3599999999999999 113.255 -156.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.604 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -70.29 -33.32 71.41 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.884 1.326 . . . . 2.3399999999999999 108.359 -169.053 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 887' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -75.82 -26.67 57.43 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.237 -1.801 . . . . 1.28 109.984 177.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.09 -35.53 80.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.515 -0.55 . . . . 2.1699999999999999 109.515 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.49 99.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.659 -0.701 . . . . 2.3599999999999999 109.716 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 895' ' ' LEU . 97.3 mt -55.71 -47.37 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.211 -0.45 . . . . 1.71 110.656 173.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -59.53 -43.32 93.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 2.2400000000000002 111.338 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 6.1 mm100 -66.78 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 2.6200000000000001 111.026 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 893' ' ' LEU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -73.56 -37.07 65.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 1.9099999999999999 110.15 176.754 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.12 27.65 15.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.957 -0.639 . . . . 1.1200000000000001 112.663 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 890' ' ' ILE . 0.1 OUTLIER -83.52 115.69 22.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.691 0.281 . . . . 2.8900000000000001 110.488 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -81.65 51.44 1.69 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.193 0.997 . . . . 2.4900000000000002 110.534 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.484 HD11 HG23 ' A' ' 872' ' ' VAL . 2.6 tp -96.99 130.49 29.83 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.33 -0.85 . . . . 1.3999999999999999 110.426 -176.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD2' HD12 ' A' ' 897' ' ' LEU . 51.6 Cg_endo -71.34 106.87 2.02 Favored 'Trans proline' 0 C--O 1.242 0.701 0 C-N-CA 122.748 2.299 . . . . 0.72999999999999998 112.107 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.6 t -106.66 116.56 50.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.52 0.676 . . . . 0.64000000000000001 111.442 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 923' ' ' LEU . 53.6 mt -88.91 98.28 7.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.175 -0.921 . . . . 0.64000000000000001 108.552 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.41 7.07 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.599 -0.81 . . . . 0.47999999999999998 113.414 -171.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 923' ' ' LEU . 0.1 OUTLIER -101.99 146.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.252 -1.018 . . . . 1.04 108.252 173.327 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 143.77 31.06 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.398 -0.521 . . . . 0.89000000000000001 111.749 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -99.61 105.5 17.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.097 -0.501 . . . . 1.1899999999999999 110.948 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 51.75 51.22 17.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.749 0.656 . . . . 2.7000000000000002 112.133 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -97.64 97.54 9.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 2.8100000000000001 109.663 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.38 144.91 44.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.43 -0.35 . . . . 3.9300000000000002 111.249 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.64 32.23 16.39 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.746 -0.661 . . . . 2.0899999999999999 111.793 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.4 OUTLIER -72.43 -18.1 61.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.123 -0.49 . . . . 3.3100000000000001 111.342 -178.163 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -52.68 64.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 3.5800000000000001 110.121 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 911' ' ' LYS . . . . . 0.403 ' HE2' HD12 ' A' ' 915' ' ' LEU . 2.9 tttt -67.01 -37.48 84.26 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.01 -0.541 . . . . 2.29 110.625 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 1.055 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.6 mp0 -67.84 -29.33 68.44 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.239 -0.584 . . . . 2.6499999999999999 109.981 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.482 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -65.41 -38.01 88.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 4.0499999999999998 111.002 177.627 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.44 -32.94 73.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.638 -0.504 . . . . 1.6499999999999999 109.638 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.03 -48.26 53.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.708 -0.678 . . . . 1.8799999999999999 112.15 -179.193 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 1.031 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -75.7 -45.51 36.4 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 119.528 -0.869 . . . . 3.4700000000000002 109.749 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.6 m 53.18 51.17 16.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.479 -0.782 . . . . 1.3500000000000001 112.917 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -136.4 -12.35 1.08 Allowed Glycine 0 C--N 1.32 -0.356 0 C-N-CA 119.817 -1.182 . . . . 1.02 113.181 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 mtt -83.34 -113.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.79 0.295 . . . . 2.0099999999999998 110.93 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.668 ' HB2' ' O ' ' A' ' 919' ' ' MET . 3.6 t70 156.77 -57.65 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.629 1.171 . . . . 1.26 109.029 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.482 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.3 OUTLIER -102.69 147.83 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.095 -178.508 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 117.92 22.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 1.1299999999999999 110.446 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.684 HD11 HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -135.23 172.96 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.68999999999999995 109.968 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.83 155.75 23.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.534 -0.303 . . . . 0.89000000000000001 110.36 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 836' ' ' ASN . 1.5 tttp -44.84 -48.93 29.21 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.038 0.755 . . . . 1.1100000000000001 113.038 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 34.9 Cg_endo -65.4 67.03 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.193 1.929 . . . . 1.01 112.856 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.26 164.46 2.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 1.3600000000000001 110.348 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.8 169.44 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.635 -0.257 . . . . 0.92000000000000004 110.523 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.668 HD23 ' HG2' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -61.33 -47.2 87.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.27 0.228 . . . . 0.92000000000000004 111.423 -176.639 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -65.91 -42.21 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.039 0.447 . . . . 1.8500000000000001 109.964 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.92 -47.45 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.713 -0.676 . . . . 0.93000000000000005 111.0 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.8 OUTLIER -68.13 -31.86 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 1.1799999999999999 110.772 -178.411 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.423 ' HB3' ' HE3' ' A' ' 933' ' ' LYS . 2.9 tmmt? -67.99 -36.29 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 1.8999999999999999 110.212 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -61.53 -55.26 32.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.325 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.06 96.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.646 -0.252 . . . . 0.62 111.199 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -55.06 -56.5 19.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.033 0.444 . . . . 0.85999999999999999 110.895 178.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.5 m -70.05 -38.77 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.673 -0.694 . . . . 0.87 112.069 -174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -40.48 89.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 1.4199999999999999 110.963 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.56 -25.79 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.547 -0.297 . . . . 1.5900000000000001 110.353 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.06 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.60999999999999999 110.339 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.9 -32.55 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 1.8700000000000001 109.904 176.287 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.3 OUTLIER -68.99 -47.6 65.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.936 -0.575 . . . . 3.1099999999999999 110.727 -178.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 947' ' ' ARG . 28.8 m -70.28 -30.1 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.91 -0.316 . . . . 0.75 110.262 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.28 -47.18 85.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 3.5800000000000001 110.196 174.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 12.7 mttp -62.44 -33.69 75.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.232 0.539 . . . . 2.7799999999999998 110.501 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.3 m -68.27 -34.19 75.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.803 -0.635 . . . . 1.3400000000000001 110.989 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 943' ' ' VAL . 25.0 mtm180 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.013 0.435 . . . . 3.5299999999999998 110.452 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 1.8999999999999999 111.063 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.452 ' HG2' ' H ' ' A' ' 826' ' ' MET . 1.3 ptp -95.94 109.6 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.637 -0.711 . . . . 1.9299999999999999 110.438 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.2 mm -106.1 145.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.615 -0.72 . . . . 0.46999999999999997 110.326 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.909 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.4 tp -100.99 107.49 18.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.89 0.376 . . . . 1.3700000000000001 110.756 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.9 m -94.08 101.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.493 0.664 . . . . 1.0600000000000001 109.756 177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.0 t -110.65 143.25 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.736 -0.666 . . . . 1.0700000000000001 110.788 -176.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -153.06 147.09 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.827 -0.805 . . . . 1.3 108.827 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -20.9 66.57 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.443 0.465 . . . . 2.0299999999999998 111.684 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 834' ' ' PRO . 0.1 OUTLIER -131.54 -177.27 0.66 Allowed Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 109.763 -0.458 . . . . 2.1200000000000001 109.763 175.594 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 4.6 Cg_exo -82.08 -28.44 2.0 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.064 1.843 . . . . 1.1200000000000001 113.815 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.56 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.4 OUTLIER -62.94 -48.04 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 113.069 0.766 . . . . 2.2599999999999998 113.069 -170.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -83.01 -22.84 33.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.027 -0.669 . . . . 1.8300000000000001 109.734 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -58.65 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.595 -0.73 . . . . 2.7799999999999998 110.145 172.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -69.87 -29.75 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 2.75 110.935 -179.074 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -45.94 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 1.1399999999999999 111.146 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -73.43 -32.26 64.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.685 0.279 . . . . 1.4299999999999999 110.453 -178.776 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -27.09 63.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.148 0.499 . . . . 0.59999999999999998 109.915 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 842' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 18.7 t0 -64.66 -46.33 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 1.3400000000000001 109.843 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.623 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -62.86 -38.45 90.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.444 -0.798 . . . . 1.8500000000000001 110.716 177.612 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 851' ' ' CYS . 8.4 tp -65.92 -31.38 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 1.24 110.374 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.33 -35.76 92.49 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.911 -0.586 . . . . 0.52000000000000002 112.063 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -36.05 79.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 0.69999999999999996 110.076 174.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.87 -48.72 73.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 1.5600000000000001 110.337 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.55 36.77 3.43 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.62 112.558 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -124.54 158.11 33.73 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.77 -0.253 . . . . 1.22 110.839 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.5 125.42 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 2.3799999999999999 110.941 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.571 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -114.42 117.22 30.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.043 -0.526 . . . . 0.93999999999999995 110.912 -177.333 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.0 OUTLIER -102.1 118.62 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.403 -0.592 . . . . 1.4399999999999999 109.403 174.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.83 112.92 24.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.057 0.456 . . . . 0.62 112.207 -171.138 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.5 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -117.96 157.56 26.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.46999999999999997 109.941 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.647 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.1 t-20 -131.43 71.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.48 -0.488 . . . . 1.8999999999999999 112.062 -172.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.9 t70 160.04 162.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.557 1.143 . . . . 1.45 109.344 168.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.03 -40.34 83.9 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.673 -0.971 . . . . 0.57999999999999996 110.673 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.519 HG22 ' OD1' ' A' ' 856' ' ' ASP . 20.4 m -74.01 -29.2 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.94999999999999996 110.538 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.578 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 12.7 t0 -60.79 -31.29 70.67 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.83999999999999997 110.862 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.24 85.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.51000000000000001 110.295 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 890' ' ' ILE . 9.4 mp -71.14 -38.48 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 1.8500000000000001 110.319 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -50.03 72.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.476 -0.784 . . . . 1.72 110.229 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.456 HG11 HD11 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -67.58 -35.83 74.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.89000000000000001 110.562 -179.274 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 897' ' ' LEU . 0.5 OUTLIER -63.99 -32.88 74.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.908 0.385 . . . . 1.6599999999999999 110.731 178.024 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 71.5 m -68.36 -36.67 79.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.81999999999999995 110.294 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -69.99 -46.44 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.811 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -144.91 135.7 24.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.231 -0.44 . . . . 1.8600000000000001 110.341 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.95 97.27 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 3.1200000000000001 111.118 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.909 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.8 OUTLIER -77.54 148.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 1.0600000000000001 109.757 175.458 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.27 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 1.6399999999999999 111.193 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 4.3 mt -124.98 140.91 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.398 . . . . 1.03 110.383 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.734 HG23 HD11 ' A' ' 897' ' ' LEU . 77.9 t -113.99 131.61 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.564 0.221 . . . . 0.67000000000000004 111.305 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -122.11 98.58 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.002 -0.74 . . . . 0.87 109.002 172.577 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -103.39 98.96 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.336 -0.393 . . . . 0.72999999999999998 111.595 -176.045 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.696 ' HA ' HG22 ' A' ' 902' ' ' VAL . 44.9 t0 -71.39 117.03 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 1.3400000000000001 110.374 170.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.193 0.52 . . . . 1.29 110.892 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.792 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.6 p90 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 122.554 1.169 . . . . 2.8399999999999999 109.127 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.96 -24.61 66.22 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.671 -1.15 . . . . 3.3599999999999999 112.738 -161.399 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -69.97 -37.17 75.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.009 0.909 . . . . 2.3399999999999999 108.68 -171.272 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.545 ' HB ' ' CG ' ' A' ' 916' ' ' GLU . 21.5 m -71.85 -27.43 62.88 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.407 -1.269 . . . . 1.28 110.521 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 1.9 tt0 -58.1 -39.25 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.527 0.68 . . . . 2.1699999999999999 109.774 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.27 -36.51 84.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.23 -0.895 . . . . 2.3599999999999999 110.317 174.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 861' ' ' LEU . 71.5 mt -57.26 -50.53 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.52 -0.309 . . . . 1.71 111.389 177.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -71.02 -28.1 64.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.714 0.292 . . . . 2.2400000000000002 111.223 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.446 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -74.0 -27.82 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.039 0.447 . . . . 2.6200000000000001 110.514 178.655 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 53.2 tp -78.31 -21.99 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.941 -0.572 . . . . 1.9099999999999999 109.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 77.76 58.67 3.2 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.009 -0.615 . . . . 1.1200000000000001 112.589 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.5 147.3 23.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.074 -0.343 . . . . 2.8900000000000001 110.074 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 2.6 t -111.84 10.2 20.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.379 0.609 . . . . 2.4900000000000002 110.833 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 872' ' ' VAL . 0.0 OUTLIER -89.0 152.14 47.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.824 -0.625 . . . . 1.3999999999999999 110.424 -177.544 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 6.8 Cg_exo -74.64 118.87 5.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 123.018 2.479 . . . . 0.72999999999999998 111.934 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.827 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 2.9 t -109.77 129.99 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 121.72 0.771 . . . . 0.64000000000000001 111.365 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.92 HD12 HD23 ' A' ' 873' ' ' LEU . 0.4 OUTLIER -114.46 134.05 58.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.395 -0.821 . . . . 0.64000000000000001 108.983 173.362 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -123.86 101.41 0.68 Allowed Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.677 -0.969 . . . . 0.47999999999999998 110.677 -171.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' A' ' 875' ' ' ASP . 0.4 OUTLIER -87.15 131.49 34.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.763 -0.829 . . . . 1.04 108.763 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 2.6 p -132.43 167.58 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.697 0.284 . . . . 0.89000000000000001 111.033 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -128.9 123.18 31.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.1899999999999999 111.356 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 36.0 t30 57.53 40.71 26.78 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.797 -0.638 . . . . 2.7000000000000002 111.356 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.417 ' HB1' HE22 ' A' ' 912' ' ' GLN . . . -94.13 -33.74 13.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.179 -0.464 . . . . 2.8100000000000001 110.271 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.46 -62.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.388 -0.824 . . . . 3.9300000000000002 111.285 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . -90.77 55.78 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.45 0.643 . . . . 2.0899999999999999 110.44 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.8 -35.94 79.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.596 -0.729 . . . . 3.3100000000000001 110.562 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -26.27 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.482 -0.562 . . . . 3.5800000000000001 109.482 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 911' ' ' LYS . . . . . 0.559 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -70.18 -32.17 69.98 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.78 -0.646 . . . . 2.29 110.473 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 11.0 mt-30 -67.19 -42.77 83.63 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 119.141 -1.024 . . . . 2.6499999999999999 108.879 173.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -52.65 -36.86 57.56 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.368 0.418 . . . . 4.0499999999999998 111.17 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 69.4 m -76.06 -34.76 59.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.728 0.299 . . . . 1.6499999999999999 111.182 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 1.2 tp -71.35 -52.94 15.95 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.136 0.421 . . . . 1.8799999999999999 112.136 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.08 -43.34 24.34 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.6 0.238 . . . . 3.4700000000000002 110.634 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 14.5 m 53.24 51.54 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.963 0.727 . . . . 1.3500000000000001 112.963 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -141.83 11.43 2.63 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.051 -1.071 . . . . 1.02 112.3 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.827 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.1 OUTLIER -99.76 -104.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.607 0.241 . . . . 2.0099999999999998 110.962 -175.188 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 919' ' ' MET . 41.1 t0 162.03 -55.11 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.634 1.174 . . . . 1.26 108.218 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 900' ' ' ILE . 2.6 m -141.87 152.56 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.627 -0.715 . . . . 1.26 110.781 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 142.89 47.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.348 -0.387 . . . . 1.1299999999999999 110.489 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 902' ' ' VAL . 1.7 mt -125.38 -175.41 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.357 . . . . 0.68999999999999995 110.069 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 2.3 m -108.23 152.25 24.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.945 -0.571 . . . . 0.89000000000000001 109.482 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.687 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 15.8 tttp -43.79 -60.96 2.21 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 113.778 1.029 . . . . 1.1100000000000001 113.778 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 1.8 Cg_endo -83.23 70.78 6.45 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.942 1.761 . . . . 1.01 112.845 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 927' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 931' ' ' VAL . 2.1 t -68.73 110.58 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 1.3600000000000001 110.34 172.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.67 178.72 7.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.606 -0.27 . . . . 0.92000000000000004 111.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.2 -42.72 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.92000000000000004 111.562 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -56.05 22.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.585 -0.28 . . . . 1.8500000000000001 110.861 -177.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 931' ' ' VAL . . . . . 0.411 ' HB ' ' CG1' ' A' ' 927' ' ' VAL . 0.0 OUTLIER -61.54 -36.44 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.669 -0.241 . . . . 0.93000000000000005 111.316 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.623 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -64.41 -39.57 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.619 0.247 . . . . 1.1799999999999999 110.409 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.18 79.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.277 -0.268 . . . . 1.8999999999999999 110.277 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -58.88 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 2.25 110.615 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -69.39 -41.99 75.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.693 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -63.7 -47.14 82.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.436 0.16 . . . . 0.85999999999999999 110.967 -178.241 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.6 m -65.79 -43.56 88.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.534 -0.303 . . . . 0.87 111.223 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.3 86.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 1.4199999999999999 111.132 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.67 -34.64 52.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.5 -0.318 . . . . 1.5900000000000001 111.212 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.56 -46.76 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.60999999999999999 110.671 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.8 OUTLIER -68.36 -33.21 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.339 -0.391 . . . . 1.8700000000000001 110.308 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -65.06 -48.68 72.94 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.448 -0.342 . . . . 3.1099999999999999 110.868 -179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 20.1 m -67.61 -30.53 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.731 -0.388 . . . . 0.75 110.664 -176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -67.77 -50.85 54.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.395 . . . . 3.5800000000000001 110.965 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.4 OUTLIER -76.01 -25.19 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.868 0.322 . . . . 2.7799999999999998 111.868 -175.707 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 7.8 m -82.9 -17.88 42.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 1.3400000000000001 110.403 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 3.5299999999999998 110.102 175.306 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 825' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.874 0.368 . . . . 1.8999999999999999 110.242 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -92.85 111.79 23.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.891 -0.595 . . . . 1.9299999999999999 109.815 178.064 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.5 140.45 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.981 -0.554 . . . . 0.46999999999999997 110.235 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.552 HD11 HG13 ' A' ' 863' ' ' VAL . 3.0 mt -94.21 103.75 15.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 1.3700000000000001 109.869 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 1.02 ' HB ' HD13 ' A' ' 840' ' ' LEU . 2.4 m -97.93 94.79 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.385 -0.825 . . . . 1.0600000000000001 109.635 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 854' ' ' ALA . 6.0 t -103.06 143.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.401 -0.818 . . . . 1.0700000000000001 110.094 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -158.9 143.87 16.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.611 -0.514 . . . . 1.3 109.611 175.138 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 832' ' ' ASP . . . . . 0.539 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -90.24 -21.18 22.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.033 0.383 . . . . 2.0299999999999998 112.033 -176.597 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.34 92.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 2.1200000000000001 109.795 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.618 ' HA ' ' HB2' ' A' ' 837' ' ' ARG . 96.2 Cg_exo -44.23 -22.61 0.56 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 125.001 3.8 . . . . 1.1200000000000001 116.16 -165.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.597 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -56.69 -37.63 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.269 0.557 . . . . 2.2599999999999998 110.211 176.139 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.99 -36.26 30.94 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.731 -0.388 . . . . 1.8300000000000001 110.044 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.758 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 2.3 ttp180 -54.21 -44.17 71.4 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.369 0.418 . . . . 2.7799999999999998 111.375 176.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.23 -33.36 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 2.75 110.456 178.293 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.67 -50.35 69.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.217 -0.447 . . . . 1.1399999999999999 111.046 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 1.02 HD13 ' HB ' ' A' ' 829' ' ' VAL . 1.5 pp -69.23 -26.96 65.06 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 110.378 -0.231 . . . . 1.4299999999999999 110.378 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.15 87.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.602 0.715 . . . . 0.59999999999999998 109.399 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.09 -49.14 20.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.857 -1.065 . . . . 1.3400000000000001 110.947 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -52.34 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 1.8500000000000001 111.682 -176.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -38.62 88.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.025 0.44 . . . . 1.24 110.251 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -59.41 -34.81 82.53 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.743 -0.662 . . . . 0.52000000000000002 112.72 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 34.4 m -70.94 -25.82 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.962 0.411 . . . . 0.69999999999999996 110.507 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.542 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -72.06 -17.87 61.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 1.5600000000000001 110.421 176.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.0 9.6 80.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.849 -0.614 . . . . 0.62 112.656 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.38 160.41 14.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.814 0.34 . . . . 1.22 111.194 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.486 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 30.6 mt-30 -74.02 110.15 8.09 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.126 -0.488 . . . . 2.3799999999999999 110.222 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 109.59 20.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.498 -0.319 . . . . 0.93999999999999995 110.596 -179.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.482 ' HE2' ' HB3' ' A' ' 826' ' ' MET . 2.5 mptt -101.38 109.49 21.33 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.673 -0.862 . . . . 1.4399999999999999 108.673 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -89.61 133.76 34.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.132 0.491 . . . . 0.62 111.764 -171.55 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -139.51 172.45 12.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.605 -0.725 . . . . 0.46999999999999997 109.763 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 38.0 t30 -149.33 74.5 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.001 -0.28 . . . . 1.8999999999999999 111.207 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 0.7 OUTLIER 161.38 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.275 0.984 . . . . 1.45 109.471 169.448 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -71.78 -40.15 58.64 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.302 -0.951 . . . . 0.57999999999999996 111.06 172.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.47 ' HA ' HD23 ' A' ' 861' ' ' LEU . 27.0 m -73.93 -29.33 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.709 0.29 . . . . 0.94999999999999996 110.742 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.63 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 36.9 t0 -56.27 -36.44 68.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.305 -0.407 . . . . 0.83999999999999997 110.26 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.32 90.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.645 -0.707 . . . . 0.51000000000000001 110.892 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 890' ' ' ILE . 1.7 mm? -59.61 -46.15 89.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.335 0.588 . . . . 1.8500000000000001 110.358 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 -52.14 65.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.998 -1.001 . . . . 1.72 111.315 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.7 -32.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.601 -0.272 . . . . 0.89000000000000001 111.433 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 872' ' ' VAL . 5.3 mt -65.8 -32.07 73.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.002 0.429 . . . . 1.6599999999999999 110.976 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.0 m -80.17 -27.54 38.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 0.81999999999999995 110.756 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -55.8 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 3.46 111.185 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -122.27 159.35 27.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.713 -0.477 . . . . 1.8600000000000001 109.713 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -87.9 132.86 34.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.478 -0.489 . . . . 3.1200000000000001 111.017 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.7 mp -132.26 142.26 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.184 -0.916 . . . . 1.0600000000000001 109.423 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -82.66 -52.04 7.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.008 0.373 . . . . 1.6399999999999999 112.008 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 142.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 1.03 110.594 -178.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 864' ' ' LEU . 77.9 t -119.5 132.18 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.8 -0.36 . . . . 0.67000000000000004 111.101 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -129.15 120.25 25.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.87 -0.419 . . . . 0.87 109.87 173.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.619 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.4 p -109.48 109.75 20.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.469 -0.332 . . . . 0.72999999999999998 110.814 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.784 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -86.24 110.2 19.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.81 -0.632 . . . . 1.3400000000000001 109.95 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.949 -0.569 . . . . 1.29 110.845 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.871 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 10.5 p90 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 113.586 0.958 . . . . 2.8399999999999999 113.586 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.73 -26.85 47.46 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.329 -0.851 . . . . 3.3599999999999999 112.919 -164.134 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.318 1.056 . . . . 2.3399999999999999 109.177 -172.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.984 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 90.8 m -77.65 -26.82 50.74 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.423 -1.262 . . . . 1.28 108.922 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 1.4 tm0? -59.12 -40.48 85.53 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.127 -0.694 . . . . 2.1699999999999999 109.127 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.78 91.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.711 -0.677 . . . . 2.3599999999999999 110.918 174.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.855 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -62.07 -32.33 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.16 0.505 . . . . 1.71 110.711 176.088 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.511 ' HD3' ' OE1' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -75.06 -32.01 61.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.052 -0.522 . . . . 2.2400000000000002 110.733 178.268 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.511 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 20.2 mm100 -67.35 -27.93 67.54 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.126 0.489 . . . . 2.6200000000000001 110.185 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -48.94 62.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 1.9099999999999999 109.543 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.03 60.33 0.97 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.872 -0.68 . . . . 1.1200000000000001 112.034 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.583 HD22 HG23 ' A' ' 890' ' ' ILE . 1.3 pt? -89.67 147.88 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.129 0.49 . . . . 2.8900000000000001 111.027 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -34.55 18.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.647 -0.706 . . . . 2.4900000000000002 111.761 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 895' ' ' LEU . 0.8 OUTLIER -77.52 157.21 80.34 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.609 -0.723 . . . . 1.3999999999999999 111.837 -171.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 148.38 23.51 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 123.287 2.658 . . . . 0.72999999999999998 113.367 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 80.4 t -119.59 128.58 75.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.285 -0.871 . . . . 0.64000000000000001 110.648 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -100.41 105.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.622 -0.717 . . . . 0.64000000000000001 109.717 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 901' ' ' GLY . . . . . 0.607 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -88.36 101.04 2.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.898 -0.668 . . . . 0.47999999999999998 112.454 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.1 t -76.38 122.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 35.7 p -128.47 153.47 47.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.788 0.328 . . . . 0.89000000000000001 111.491 -171.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.99 110.27 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.355 -0.384 . . . . 1.1899999999999999 111.643 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.81 56.36 1.13 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.495 0.554 . . . . 2.7000000000000002 112.495 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -108.02 -28.19 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.853 0.358 . . . . 2.8100000000000001 110.583 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.9 mt 64.03 18.76 11.41 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.563 -0.744 . . . . 3.9300000000000002 111.443 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.05 29.11 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 2.0899999999999999 109.274 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 51.0 mp0 -60.06 -53.06 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.888 . . . . 3.3100000000000001 111.23 -175.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -63.59 -35.66 81.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 3.5800000000000001 110.41 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.29 110.97 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.871 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 7.5 mt-30 -70.33 -39.44 74.74 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.056 -0.72 . . . . 2.6499999999999999 109.056 176.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.478 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -62.13 -26.94 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 4.0499999999999998 110.535 178.019 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 40.0 m -74.97 -43.6 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 1.6499999999999999 110.373 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -52.8 22.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.869 -0.605 . . . . 1.8799999999999999 111.598 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.984 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.26 -38.34 35.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 3.4700000000000002 110.817 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.3 m 52.27 52.59 13.96 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.002 1.112 . . . . 1.3500000000000001 114.002 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.416 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -125.02 1.83 8.42 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 119.636 -1.269 . . . . 1.02 111.957 174.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 4.7 mtm -92.04 -124.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 2.0099999999999998 111.833 -173.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.7 t70 171.0 -55.22 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.804 -1.089 . . . . 1.26 108.179 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 157.56 44.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.372 -0.831 . . . . 1.26 109.787 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 81.6 m -121.43 146.35 46.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.74 0.305 . . . . 1.1299999999999999 110.513 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 935' ' ' THR . 76.9 mt -131.0 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.68999999999999995 110.442 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.86 144.54 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.89 -0.411 . . . . 0.89000000000000001 109.89 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 2.4 ttmm -50.22 -42.23 71.26 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 113.546 0.943 . . . . 1.1100000000000001 113.546 -176.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.5 Cg_endo -65.88 61.18 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.028 1.819 . . . . 1.01 113.476 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 927' ' ' VAL . . . . . 0.407 ' HB ' HD12 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -85.96 79.5 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 1.3600000000000001 110.617 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.47 174.04 7.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.993 -0.549 . . . . 0.92000000000000004 110.53 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.01 -38.57 62.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.684 0.278 . . . . 0.92000000000000004 111.426 -177.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 930' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 9.8 t70 -63.29 -56.74 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.068 0.461 . . . . 1.8500000000000001 110.368 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 29.2 t -66.0 -42.76 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.428 -0.806 . . . . 0.93000000000000005 111.391 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.2 tt -64.54 -31.07 52.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.1799999999999999 111.021 -177.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -32.57 61.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.12 -0.232 . . . . 1.8999999999999999 110.731 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 66.3 mt-30 -55.59 -55.71 28.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.421 0.629 . . . . 2.25 109.916 174.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 935' ' ' THR . . . . . 0.461 HG21 HD11 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -69.83 -41.43 74.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.33 -0.85 . . . . 0.62 111.88 -177.668 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.83 -0.168 . . . . 0.85999999999999999 111.303 -177.435 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 70.6 m -62.64 -44.46 96.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.581 0.229 . . . . 0.87 111.316 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -40.72 92.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.053 0.454 . . . . 1.4199999999999999 110.936 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.3 OUTLIER -71.28 -41.81 69.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.183 -0.462 . . . . 1.5900000000000001 111.514 -177.021 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -61.32 -40.58 94.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 0.60999999999999999 110.814 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.21 -38.73 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 1.8700000000000001 110.192 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -63.13 -48.07 80.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 3.1099999999999999 110.818 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.27 -30.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.566 -0.288 . . . . 0.75 110.294 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -57.5 -45.06 85.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.058 0.456 . . . . 3.5800000000000001 109.932 175.556 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -70.47 -44.06 68.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.619 -0.719 . . . . 2.7799999999999998 110.807 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -60.07 -39.78 87.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.024 0.44 . . . . 1.3400000000000001 111.47 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.407 . . . . 3.5299999999999998 110.966 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 26.5 mtp . . . . . 0 C--O 1.24 0.554 0 CA-C-O 121.618 0.723 . . . . 1.8999999999999999 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.9 ptp -109.81 133.17 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.282 -0.872 . . . . 1.9299999999999999 110.292 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.999 ' HB ' HD21 ' A' ' 844' ' ' LEU . 3.9 mm -121.2 143.42 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.323 0.583 . . . . 0.46999999999999997 110.531 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 863' ' ' VAL . 0.1 OUTLIER -94.76 118.04 31.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.592 -0.731 . . . . 1.3700000000000001 110.484 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.581 HG13 HD22 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -106.62 98.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.29 0.567 . . . . 1.0600000000000001 109.787 177.16 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 854' ' ' ALA . 19.7 t -109.36 137.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.718 -0.674 . . . . 1.0700000000000001 110.474 -177.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.537 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 6.5 t0 -144.68 130.93 19.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.106 -0.702 . . . . 1.3 109.106 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.01 -13.19 61.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.044 0.449 . . . . 2.0299999999999998 111.13 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.562 ' HB3' ' HD2' ' A' ' 834' ' ' PRO . 47.3 m170 -116.34 -176.08 0.35 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.387 -0.598 . . . . 2.1200000000000001 109.387 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 833' ' ' HIS . 84.8 Cg_endo -94.69 -32.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.643 1.562 . . . . 1.1200000000000001 114.646 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 1.4 pt -69.22 -42.59 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.272 0.471 . . . . 2.2599999999999998 112.272 -171.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.01 -22.7 48.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.779 -0.452 . . . . 1.8300000000000001 109.779 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 8.2 ttm180 -63.14 -52.58 61.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.266 -0.425 . . . . 2.7799999999999998 110.545 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.1 OUTLIER -66.28 -30.22 70.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.522 -0.308 . . . . 2.75 110.85 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.84 53.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 1.1399999999999999 111.015 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' A' ' 829' ' ' VAL . 15.1 tp -66.92 -46.37 75.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.847 -0.615 . . . . 1.4299999999999999 110.922 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.66 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.59999999999999998 110.733 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 842' ' ' ASP . . . . . 0.58 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 5.4 t0 -66.25 -46.68 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.3400000000000001 110.04 176.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.49 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.7 OUTLIER -57.96 -48.36 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.575 -0.739 . . . . 1.8500000000000001 110.522 177.361 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.999 HD21 ' HB ' ' A' ' 827' ' ' ILE . 13.7 tp -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.805 -0.634 . . . . 1.24 111.155 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -69.12 -21.76 75.73 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.816 -0.707 . . . . 0.52000000000000002 112.127 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 49.5 m -82.97 -19.5 36.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.423 0.154 . . . . 0.69999999999999996 111.354 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 844' ' ' LEU . 1.2 pp -96.49 -10.71 26.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.432 -0.507 . . . . 1.5600000000000001 110.623 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.72 28.8 13.11 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.782 -0.723 . . . . 0.62 114.198 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' TYR . . . . . 0.418 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 1.1 m-30 -111.63 155.87 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.613 0.707 . . . . 1.22 110.914 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 850' ' ' GLN . 2.4 mp0 -65.79 112.3 3.66 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.99 -0.55 . . . . 2.3799999999999999 111.013 -175.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.634 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.46 105.47 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.206 -0.452 . . . . 0.93999999999999995 111.648 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.4 115.07 27.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.569 -0.53 . . . . 1.4399999999999999 109.569 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.99 136.99 32.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.646 0.61 . . . . 0.62 112.646 -172.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.834 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.8 165.25 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.707 -0.849 . . . . 0.46999999999999997 108.707 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.6 p-10 -136.1 72.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.031 -0.668 . . . . 1.8999999999999999 112.2 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.806 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 34.1 t0 162.83 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.008 -0.997 . . . . 1.45 109.385 171.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.984 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.03 -43.36 93.63 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.357 -0.925 . . . . 0.57999999999999996 111.288 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -74.3 -28.74 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.91 -0.171 . . . . 0.94999999999999996 110.641 177.644 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 24.6 t0 -56.1 -40.81 74.23 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.7 -0.482 . . . . 0.83999999999999997 109.7 172.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 864' ' ' LEU . . . -56.98 -47.33 81.04 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.684 -0.689 . . . . 0.51000000000000001 110.274 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.47 -39.37 73.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.072 -0.513 . . . . 1.8500000000000001 111.047 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -63.6 -50.23 70.24 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.949 -0.569 . . . . 1.72 110.661 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -34.23 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.818 -0.628 . . . . 0.89000000000000001 110.721 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 860' ' ' ALA . 75.3 mt -69.07 -32.05 71.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.988 0.423 . . . . 1.6599999999999999 110.753 177.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 47.5 m -64.55 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.81999999999999995 110.249 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -83.49 -59.48 2.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.269 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 867' ' ' ASN . . . . . 0.506 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 36.9 t30 -125.47 138.41 53.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.817 -0.629 . . . . 1.8600000000000001 109.899 -174.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -57.5 -53.75 54.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 3.1200000000000001 112.349 -174.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 8.2 mm 66.36 149.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 123.316 0.385 . . . . 1.0600000000000001 110.329 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.04 -64.77 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.785 -0.572 . . . . 1.6399999999999999 111.302 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.627 ' HB ' HG23 ' A' ' 827' ' ' ILE . 9.1 mm -110.99 136.73 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.245 -0.434 . . . . 1.03 110.015 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 828' ' ' LEU . 63.5 t -118.83 127.53 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.957 -0.297 . . . . 0.67000000000000004 111.211 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.55 102.3 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.749 -0.463 . . . . 0.87 109.749 174.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.591 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -99.65 106.63 18.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.223 -0.444 . . . . 0.72999999999999998 110.782 -178.667 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 45.0 t0 -84.48 132.52 34.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.746 . . . . 1.3400000000000001 111.418 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 1.29 110.395 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 4.6 p90 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.147 0.499 . . . . 2.8399999999999999 111.381 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -58.2 -27.83 64.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.65 0.738 . . . . 3.3599999999999999 111.39 -165.333 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.984 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -72.6 -28.63 62.9 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.219 -0.9 . . . . 2.3399999999999999 109.475 -174.66 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.881 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 22.4 m -76.33 -27.45 56.51 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 114.642 -1.163 . . . . 1.28 108.798 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.765 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 31.7 tt0 -63.16 -37.36 86.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.497 -0.774 . . . . 2.1699999999999999 109.252 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -39.83 93.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.578 -0.737 . . . . 2.3599999999999999 110.256 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 899' ' ' VAL . 0.4 OUTLIER -60.69 -38.53 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.868 0.365 . . . . 1.71 110.781 176.523 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.577 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -74.81 -30.63 61.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 2.2400000000000002 110.766 -179.041 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.73 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 2.6200000000000001 110.928 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -30.04 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 1.9099999999999999 110.643 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.92 71.56 0.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.003 -0.839 . . . . 1.1200000000000001 111.003 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.2 pt? -66.67 126.63 29.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.439 0.638 . . . . 2.8900000000000001 111.881 -173.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 47.77 1.44 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.404 -0.816 . . . . 2.4900000000000002 109.444 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 898' ' ' PRO . 0.7 OUTLIER -168.91 143.22 2.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.135 -0.938 . . . . 1.3999999999999999 109.758 -173.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 7.3 Cg_exo -73.41 124.27 9.28 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.699 2.266 . . . . 0.72999999999999998 111.612 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 16.1 t -99.87 109.77 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.609 0.719 . . . . 0.64000000000000001 110.635 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.19 108.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.626 -0.716 . . . . 0.64000000000000001 109.485 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 901' ' ' GLY . . . . . 0.567 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -91.96 101.85 2.85 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 111.177 -0.769 . . . . 0.47999999999999998 111.177 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 923' ' ' LEU . 3.7 p -99.06 129.1 49.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.804 -0.813 . . . . 1.04 108.804 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.3 p -143.59 162.85 34.81 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.362 -0.535 . . . . 0.89000000000000001 112.186 -168.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -87.44 128.77 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.618 -0.719 . . . . 1.1899999999999999 109.182 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.87 111.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.569 0.543 . . . . 2.7000000000000002 111.526 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -120.91 -7.06 9.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 2.8100000000000001 110.444 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 67.74 30.31 6.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.443 -0.799 . . . . 3.9300000000000002 111.849 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -135.86 -12.56 1.97 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.825 0.822 . . . . 2.0899999999999999 110.067 175.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 909' ' ' GLU . 16.8 pm0 -69.5 -19.97 63.72 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.034 -0.985 . . . . 3.3100000000000001 111.901 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.515 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -66.43 -50.89 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.118 -0.327 . . . . 3.5800000000000001 110.118 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -30.7 69.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.486 . . . . 2.29 110.733 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.755 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -72.49 -36.55 68.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.4 -0.52 . . . . 2.6499999999999999 110.566 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.641 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 4.3 ttm180 -68.05 -27.96 66.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.494 . . . . 4.0499999999999998 110.163 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.75 -33.42 70.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.6499999999999999 110.028 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 915' ' ' LEU . 7.5 mt -71.96 -53.23 13.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.971 -0.559 . . . . 1.8799999999999999 112.021 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.881 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -78.64 -43.69 25.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.686 -0.405 . . . . 3.4700000000000002 111.002 -176.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.9 m 45.51 52.2 9.3 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.979 1.103 . . . . 1.3500000000000001 113.979 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.14 -0.32 8.15 Favored Glycine 0 C--N 1.316 -0.531 0 C-N-CA 119.728 -1.225 . . . . 1.02 112.353 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.904 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 7.0 mtt -75.21 -112.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.288 0.477 . . . . 2.0099999999999998 112.288 -172.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.5 t70 163.27 -51.91 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 114.875 -1.057 . . . . 1.26 108.399 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.78 166.56 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.48 -0.782 . . . . 1.26 110.325 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 72.6 m -135.17 129.51 33.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.527 -0.306 . . . . 1.1299999999999999 110.294 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 1.069 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.5 OUTLIER -126.95 -174.49 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.162 -0.472 . . . . 0.68999999999999995 110.193 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 1.6 m -117.96 138.18 52.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.353 -0.385 . . . . 0.89000000000000001 110.152 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.502 ' HG3' ' OD2' ' A' ' 875' ' ' ASP . 2.1 ttmm -30.03 -54.34 0.34 Allowed Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 114.773 1.397 . . . . 1.1100000000000001 114.773 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 53.2 Cg_endo -70.45 69.0 2.06 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.678 1.585 . . . . 1.01 113.56 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.81 102.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 1.3600000000000001 110.299 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.41 -179.66 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 0.92000000000000004 111.415 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -59.11 -47.03 86.77 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.241 0.46 . . . . 0.92000000000000004 112.241 -173.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -37.63 54.84 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.872 -0.331 . . . . 1.8500000000000001 110.82 -175.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.93000000000000005 110.449 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 843' ' ' GLN . 2.3 tt -68.6 -28.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.1799999999999999 110.508 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -70.47 -48.2 56.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.605 -0.27 . . . . 1.8999999999999999 111.437 -177.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.29 87.98 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.487 -0.485 . . . . 2.25 110.444 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -48.5 72.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.612 0.244 . . . . 0.62 111.009 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -59.54 -49.64 76.98 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.85999999999999999 110.461 179.181 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 68.6 m -63.01 -44.18 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 0.87 111.564 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.85 80.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 1.4199999999999999 110.951 -178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.82 -26.5 59.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 1.5900000000000001 111.346 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.26 67.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.084 -0.339 . . . . 0.60999999999999999 110.084 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 1.8700000000000001 110.223 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -47.77 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.489 -0.323 . . . . 3.1099999999999999 111.003 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.29 -30.18 38.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 121.017 -0.273 . . . . 0.75 110.928 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -67.8 -37.2 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.516 -0.55 . . . . 3.5800000000000001 109.516 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 9.6 mtmt -65.1 -44.87 87.38 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.526 . . . . 2.7799999999999998 110.365 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 8.5 m -63.03 -27.75 69.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.076 0.465 . . . . 1.3400000000000001 111.023 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 3.5299999999999998 111.592 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.96 0.409 . . . . 1.8999999999999999 111.459 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.0 mtt -102.47 117.68 35.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 1.9299999999999999 110.318 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.422 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.9 mm -108.88 133.66 53.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.891 -0.595 . . . . 0.46999999999999997 110.198 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.95 ' HB2' HG21 ' A' ' 869' ' ' ILE . 55.1 tp -99.43 115.57 29.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.998 -0.546 . . . . 1.3700000000000001 110.47 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.667 ' HB ' HD21 ' A' ' 840' ' ' LEU . 3.6 m -101.7 95.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.433 0.635 . . . . 1.0600000000000001 109.953 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.811 HG22 ' HG ' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -106.56 81.84 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.897 -0.592 . . . . 1.0700000000000001 111.91 -172.495 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.476 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 23.1 t0 -113.37 128.21 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.732 -0.387 . . . . 1.3 110.022 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 832' ' ' ASP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 28.8 t70 -65.34 -35.25 80.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 2.0299999999999998 111.835 -178.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -92.28 122.13 65.28 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 2.1200000000000001 110.735 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.95 -53.12 7.09 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.714 2.943 . . . . 1.1200000000000001 114.478 -174.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -29.73 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.012 0.434 . . . . 2.2599999999999998 111.114 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.476 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 11.9 m120 -79.4 -32.76 43.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.653 -0.499 . . . . 1.8300000000000001 109.653 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 831' ' ' ASP . 28.3 ttm180 -61.29 -53.17 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 2.7799999999999998 110.54 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.0 OUTLIER -64.5 -27.77 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 2.75 110.611 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 839' ' ' LEU . 4.9 mt -70.55 -52.07 24.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 1.1399999999999999 111.003 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.667 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -66.75 -31.23 71.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 1.4299999999999999 110.494 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.22 60.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.153 -0.476 . . . . 0.59999999999999998 110.63 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 842' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 4.1 t70 -71.85 -44.31 64.04 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.398 -0.593 . . . . 1.3400000000000001 109.398 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.766 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -61.62 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.366 -0.834 . . . . 1.8500000000000001 109.988 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.65 90.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.65 -0.704 . . . . 1.24 110.363 176.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.39 77.38 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.554 -0.748 . . . . 0.52000000000000002 112.431 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.3 m -68.3 -28.35 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.999 0.428 . . . . 0.69999999999999996 109.946 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -44.91 61.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 1.5600000000000001 110.161 174.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.21 21.57 22.27 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.699 -0.762 . . . . 0.62 112.352 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -98.58 169.15 9.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.708 0.29 . . . . 1.22 110.979 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 4.8 tp60 -66.95 123.46 20.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 2.3799999999999999 110.126 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 123.54 45.45 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.521 -0.309 . . . . 0.93999999999999995 110.64 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 124.67 51.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.417 -0.586 . . . . 1.4399999999999999 109.417 175.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.489 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.7 OUTLIER -90.43 141.9 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.62 112.088 -173.793 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.734 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.24 178.12 10.53 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.767 -0.827 . . . . 0.46999999999999997 108.767 176.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.559 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.8 OUTLIER -159.46 74.25 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.16 -0.616 . . . . 1.8999999999999999 112.337 -176.108 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.602 ' H ' HG12 ' A' ' 830' ' ' VAL . 21.8 t70 164.98 152.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.887 0.742 . . . . 1.45 110.187 174.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.647 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -63.79 -47.95 81.39 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.015 -0.612 . . . . 0.57999999999999996 112.438 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.6 HG22 ' OD2' ' A' ' 856' ' ' ASP . 2.3 m -74.24 -30.39 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.94999999999999996 110.576 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 31.7 t0 -64.22 -32.35 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.049 0.452 . . . . 0.83999999999999997 110.107 176.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.04 86.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 0.51000000000000001 111.357 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.638 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.8 OUTLIER -74.2 -28.24 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.662 0.267 . . . . 1.8500000000000001 110.551 178.691 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.4 -55.31 32.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.873 -0.603 . . . . 1.72 110.298 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.12 -30.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.89000000000000001 110.115 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 872' ' ' VAL . 1.2 mt -61.13 -32.59 72.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 1.6599999999999999 111.089 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 37.5 m -82.88 -19.53 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.331 -0.395 . . . . 0.81999999999999995 110.996 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 4.93 31.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.308 . . . . 3.46 111.82 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -168.69 140.37 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.144 -0.317 . . . . 1.8600000000000001 110.144 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -74.88 106.5 6.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.291 . . . . 3.1200000000000001 110.922 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.2 mt -113.1 141.87 27.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.269 -0.641 . . . . 1.0600000000000001 109.269 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.32 -54.22 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.95 0.405 . . . . 1.6399999999999999 111.169 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.422 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.2 mm -105.7 121.5 58.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 1.03 110.043 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 864' ' ' LEU . 62.6 t -113.94 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.646 -0.421 . . . . 0.67000000000000004 111.259 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.45 108.07 13.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.87 110.203 177.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.17 108.19 20.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.303 0.573 . . . . 0.72999999999999998 110.528 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 3.8 t0 -90.36 106.53 18.55 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.386 -0.825 . . . . 1.3400000000000001 110.278 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 115.242 -0.89 . . . . 1.29 111.294 -173.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 1.045 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 3.0 p90 . . . . . 0 CA--C 1.516 -0.335 0 CA-C-O 121.695 0.759 . . . . 2.8399999999999999 111.465 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.44 -25.38 59.55 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.437 -0.801 . . . . 3.3599999999999999 112.276 -161.313 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.647 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.6 OUTLIER -65.6 -36.5 83.92 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.993 0.901 . . . . 2.3399999999999999 108.609 -171.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.8 m -78.52 -28.53 46.22 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.216 -1.357 . . . . 1.28 110.358 177.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.478 ' HG2' ' HD3' ' A' ' 885' ' ' ARG . 2.1 tp60 -60.93 -40.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.181 0.515 . . . . 2.1699999999999999 109.645 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -70.54 -35.45 73.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.043 -0.526 . . . . 2.3599999999999999 110.677 178.664 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -65.51 -31.73 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.146 0.498 . . . . 1.71 110.499 175.32 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.48 -40.3 73.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 2.2400000000000002 110.111 177.153 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 2.6200000000000001 110.649 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -36.01 74.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.846 -0.615 . . . . 1.9099999999999999 110.903 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 109.81 81.54 1.26 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.921 -0.657 . . . . 1.1200000000000001 111.736 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -84.65 148.3 26.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.539 . . . . 2.8900000000000001 111.423 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.54 39.32 0.88 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 2.4900000000000002 109.337 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.65 162.23 27.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.553 -0.749 . . . . 1.3999999999999999 110.317 -173.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.94 118.04 5.39 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.6 2.2 . . . . 0.72999999999999998 112.67 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.874 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 35.9 t -104.9 118.76 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.428 0.632 . . . . 0.64000000000000001 110.299 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 1.5 mp -111.34 111.08 34.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.619 -0.719 . . . . 0.64000000000000001 110.064 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.44 113.34 4.54 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.563 -0.827 . . . . 0.47999999999999998 112.019 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -87.03 98.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.03 -0.73 . . . . 1.04 109.03 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 126.24 52.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.738 -0.665 . . . . 0.89000000000000001 112.032 -171.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 905' ' ' ASN . . . -78.12 134.68 37.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 1.1899999999999999 109.202 171.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 905' ' ' ASN . . . . . 0.434 ' HB3' ' O ' ' A' ' 904' ' ' ALA . 48.6 t30 76.13 -50.77 0.61 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.195 0.598 . . . . 2.7000000000000002 111.174 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 65.45 -89.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.116 0.567 . . . . 2.8100000000000001 111.127 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.02 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.751 0.657 . . . . 3.9300000000000002 111.869 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.32 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.885 0.474 . . . . 2.0899999999999999 111.143 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.516 ' HB3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER 35.98 -111.47 0.07 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.518 1.136 . . . . 3.3100000000000001 113.82 168.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.516 ' H ' ' HB3' ' A' ' 909' ' ' GLU . 5.2 mt-10 -60.88 -34.12 74.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.37 -0.832 . . . . 3.5800000000000001 112.064 -172.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 911' ' ' LYS . . . . . 0.434 ' HE2' HD12 ' A' ' 915' ' ' LEU . 0.1 OUTLIER -68.63 -46.74 68.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.606 -0.438 . . . . 2.29 110.7 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 1.045 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.69 -29.17 58.92 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.002 -1.079 . . . . 2.6499999999999999 109.879 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.502 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 10.1 ttm180 -62.01 -35.14 77.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.034 0.445 . . . . 4.0499999999999998 110.323 174.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 -26.55 61.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.76 -0.459 . . . . 1.6499999999999999 109.76 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.609 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -69.34 -51.45 36.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.687 -0.688 . . . . 1.8799999999999999 111.313 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.88 -36.45 59.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.982 0.42 . . . . 3.4700000000000002 110.5 178.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.73 49.37 20.47 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.401 0.889 . . . . 1.3500000000000001 113.401 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.92 6.8 1.02 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 119.56 -1.305 . . . . 1.02 113.613 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.874 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.6 OUTLIER -82.39 -117.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.844 0.355 . . . . 2.0099999999999998 111.778 -173.448 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 919' ' ' MET . 15.1 t0 167.13 -57.21 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.409 -0.96 . . . . 1.26 108.409 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 900' ' ' ILE . 45.4 m -150.24 134.4 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.726 -0.67 . . . . 1.26 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.14 138.22 47.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 1.1299999999999999 109.947 175.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -175.13 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.41 -0.359 . . . . 0.68999999999999995 110.218 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -99.24 151.77 20.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.995 -0.548 . . . . 0.89000000000000001 109.942 178.485 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 2.5 tptp -51.87 -48.55 87.53 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.997 0.74 . . . . 1.1100000000000001 112.997 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.0 Cg_endo -72.02 63.02 3.31 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.037 1.824 . . . . 1.01 113.533 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 927' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 924' ' ' SER . 12.5 t -82.86 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 1.3600000000000001 110.009 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.7 171.94 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.92000000000000004 111.293 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.9 OUTLIER -56.91 -34.74 68.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.997 -0.547 . . . . 0.92000000000000004 110.724 177.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -50.6 61.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.8500000000000001 110.305 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.89 -46.76 93.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.93000000000000005 110.757 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.766 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.3 OUTLIER -65.05 -27.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.184 -0.462 . . . . 1.1799999999999999 111.434 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -48.64 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.207 -0.197 . . . . 1.8999999999999999 111.236 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.84 -35.29 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 2.25 110.49 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 96.2 m -65.32 -46.67 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.691 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -62.29 -45.29 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.85999999999999999 110.81 178.332 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 8.0 m -62.63 -42.39 99.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.87 111.27 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -42.55 96.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.716 0.293 . . . . 1.4199999999999999 111.367 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 20.4 m-30 -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.697 -0.229 . . . . 1.5900000000000001 111.295 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.53 89.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.325 0.583 . . . . 0.60999999999999999 109.576 173.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.65 78.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.407 -0.815 . . . . 1.8700000000000001 109.899 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -63.5 -46.84 84.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 3.1099999999999999 110.752 -177.75 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.558 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 2.8 m -70.66 -31.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.618 -0.433 . . . . 0.75 110.546 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 3.5800000000000001 110.293 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -74.92 -40.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 2.7799999999999998 111.234 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 24.3 m -69.39 -26.37 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 1.3400000000000001 111.173 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.236 0.379 0 CA-C-O 120.866 0.365 . . . . 3.5299999999999998 110.158 176.276 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.287 0 N-CA-C 108.353 -0.981 . . . . 1.8999999999999999 108.353 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.74 118.91 33.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.145 0.498 . . . . 1.9299999999999999 111.258 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -111.44 135.87 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 0.46999999999999997 110.218 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -93.78 103.67 15.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.052 -0.522 . . . . 1.3700000000000001 110.051 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 840' ' ' LEU . 4.8 m -92.43 94.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.775 0.798 . . . . 1.0600000000000001 109.753 176.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.725 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 2.3 t -105.76 141.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.302 -0.863 . . . . 1.0700000000000001 109.362 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.589 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 5.9 t70 -147.82 138.31 23.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.891 0.377 . . . . 1.3 110.236 172.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 832' ' ' ASP . . . . . 0.642 ' CB ' ' HA ' ' A' ' 876' ' ' VAL . 36.4 t0 -86.85 55.5 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.406 -0.815 . . . . 2.0299999999999998 109.335 175.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.49 162.9 2.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.128 -1.064 . . . . 2.1200000000000001 108.128 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -89.24 -41.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.475 1.45 . . . . 1.1200000000000001 113.452 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.0 -44.54 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.646 -0.252 . . . . 2.2599999999999998 111.583 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -25.64 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.024 -0.362 . . . . 1.8300000000000001 110.024 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.601 ' HD2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -60.17 -50.52 73.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 2.7799999999999998 110.584 175.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.96 -30.03 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 2.75 110.88 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -45.18 48.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 1.1399999999999999 110.987 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -71.11 -30.06 66.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.274 -0.421 . . . . 1.4299999999999999 110.365 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.65 67.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.59999999999999998 110.243 173.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.84 -46.69 74.3 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.583 -0.525 . . . . 1.3400000000000001 109.583 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.66 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.7 OUTLIER -58.52 -43.93 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.8500000000000001 110.322 176.103 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.587 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -62.41 -40.72 97.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.787 -0.642 . . . . 1.24 110.856 177.702 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.01 -27.46 72.29 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.84 -0.618 . . . . 0.52000000000000002 111.961 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.6 m -72.6 -27.95 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.69999999999999996 110.059 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.631 HD13 ' HG ' ' A' ' 936' ' ' LEU . 2.6 mt -77.11 -22.11 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 1.5600000000000001 110.371 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 76.88 25.92 63.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.956 -0.64 . . . . 0.62 112.407 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -104.28 166.25 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.714 0.292 . . . . 1.22 111.002 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.91 116.68 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 2.3799999999999999 110.613 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.8 m -96.51 116.25 28.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.93999999999999995 111.043 -176.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.33 111.66 23.72 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.208 -0.664 . . . . 1.4399999999999999 109.208 174.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.601 HG22 ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.43 133.34 35.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.02 0.438 . . . . 0.62 111.892 -172.819 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.452 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -144.99 165.42 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.46999999999999997 109.825 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.645 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.9 t-20 -141.44 72.88 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 1.8999999999999999 110.423 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.726 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 3.5 t70 160.61 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.588 1.155 . . . . 1.45 109.681 170.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.547 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -73.34 -40.88 47.55 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.967 -0.853 . . . . 0.57999999999999996 110.967 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.505 HG22 ' OD1' ' A' ' 856' ' ' ASP . 32.8 m -72.97 -28.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.18 0.514 . . . . 0.94999999999999996 110.05 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.726 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 3.1 t0 -56.68 -40.25 75.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.83999999999999997 110.215 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -66.6 -33.53 75.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.51000000000000001 110.982 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 858' ' ' VAL . 2.4 mp -62.74 -44.94 94.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.171 0.51 . . . . 1.8500000000000001 110.639 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -67.34 -47.78 69.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 1.72 111.039 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 860' ' ' ALA . 5.0 p -64.01 -31.19 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.322 -0.399 . . . . 0.89000000000000001 110.689 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HG ' HD12 ' A' ' 869' ' ' ILE . 0.3 OUTLIER -65.51 -32.78 74.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.235 0.541 . . . . 1.6599999999999999 110.535 174.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 10.3 m -83.17 -12.29 57.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 0.81999999999999995 111.078 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -43.58 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.861 0.319 . . . . 3.46 111.861 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -138.22 147.95 44.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.563 -0.29 . . . . 1.8600000000000001 110.454 -174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -77.19 103.44 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 3.1200000000000001 111.212 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.484 HD12 ' HG ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -97.72 138.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.604 -0.888 . . . . 1.0600000000000001 108.604 169.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -89.64 -33.66 16.57 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.588 0.218 . . . . 1.6399999999999999 111.588 -170.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.0 134.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.781 -0.452 . . . . 1.03 109.781 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.876 HG23 HD11 ' A' ' 897' ' ' LEU . 50.3 t -114.63 130.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.547 -0.461 . . . . 0.67000000000000004 111.206 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -134.32 119.71 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 174.079 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.725 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.72999999999999998 111.6 -175.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 4.8 t0 -76.28 156.21 33.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.721 . . . . 1.3400000000000001 109.296 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 876' ' ' VAL . . . . . 0.642 ' HA ' ' CB ' ' A' ' 832' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 112.118 0.414 . . . . 1.29 112.118 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.76 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 15.3 p90 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.691 0.758 . . . . 2.8399999999999999 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.51 -25.83 39.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.819 0.818 . . . . 3.3599999999999999 111.421 -170.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.547 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.2 OUTLIER -76.79 -22.1 54.19 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.536 -0.913 . . . . 2.3399999999999999 108.536 -172.118 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.677 ' HA ' HD12 ' A' ' 890' ' ' ILE . 14.7 m -76.01 -30.99 58.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.466 -1.243 . . . . 1.28 109.194 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.411 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 10.2 tt0 -60.16 -37.1 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.317 -0.856 . . . . 2.1699999999999999 109.087 173.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -34.14 70.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.199 -0.91 . . . . 2.3599999999999999 110.816 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 887' ' ' THR . 96.8 mt -61.72 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.886 0.374 . . . . 1.71 110.622 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.464 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -70.51 -23.3 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.2400000000000002 110.958 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.74 -39.39 66.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 2.6200000000000001 109.74 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -50.07 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.483 -0.78 . . . . 1.9099999999999999 110.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.97 91.87 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.861 -0.685 . . . . 1.1200000000000001 112.188 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -76.72 126.97 31.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.123 0.487 . . . . 2.8900000000000001 110.86 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.47 -2.22 25.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 2.4900000000000002 110.745 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.876 HD11 HG23 ' A' ' 872' ' ' VAL . 0.6 OUTLIER -148.7 162.32 30.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.6 . . . . 1.3999999999999999 110.623 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 133.75 36.88 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.982 2.454 . . . . 0.72999999999999998 112.895 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.6 t -113.24 118.91 59.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.661 . . . . 0.64000000000000001 110.579 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 3.7 mt -104.71 109.93 29.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.757 -0.656 . . . . 0.64000000000000001 109.935 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.26 130.14 10.18 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.479 -0.867 . . . . 0.47999999999999998 112.048 -177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.6 OUTLIER -98.95 93.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.002 -0.74 . . . . 1.04 109.002 177.175 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 0.7 OUTLIER -88.14 165.68 14.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.303 -0.862 . . . . 0.89000000000000001 110.995 -175.281 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.686 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.06 119.25 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.814 0.672 . . . . 1.1899999999999999 112.814 -174.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.49 43.09 2.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.055 -0.975 . . . . 2.7000000000000002 113.259 165.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.86 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -123.64 -35.29 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.753 -0.379 . . . . 2.8100000000000001 111.213 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.96 -48.2 0.66 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.607 0.763 . . . . 3.9300000000000002 111.171 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -85.2 27.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 2.0899999999999999 110.349 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.86 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 2.0 mp0 -60.23 -35.94 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.759 -0.655 . . . . 3.3100000000000001 110.664 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.21 -27.43 69.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 3.5800000000000001 110.62 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -73.87 -38.4 64.44 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.099 -0.334 . . . . 2.29 110.099 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.686 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 3.0 mp0 -68.52 -30.07 68.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.742 -0.783 . . . . 2.6499999999999999 109.496 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.49 -29.5 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.275 0.559 . . . . 4.0499999999999998 110.214 172.831 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 34.7 m -75.17 -29.32 60.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.034 0.445 . . . . 1.6499999999999999 109.903 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.1 mp -71.2 -53.7 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 1.8799999999999999 111.633 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.16 -37.61 38.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.627 0.251 . . . . 3.4700000000000002 110.926 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 m 54.28 52.08 13.2 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.355 0.872 . . . . 1.3500000000000001 113.355 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -147.6 20.38 1.49 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.95 -1.119 . . . . 1.02 112.758 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.662 ' HG2' HG21 ' A' ' 887' ' ' THR . 2.4 mmt -97.26 -116.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.996 0.427 . . . . 2.0099999999999998 111.408 -174.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 919' ' ' MET . 2.0 t70 172.51 -51.68 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.276 -1.009 . . . . 1.26 108.276 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 157.3 44.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.358 -0.837 . . . . 1.26 110.672 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 118.99 21.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 1.1299999999999999 110.633 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.21 -174.28 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.68999999999999995 110.1 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.7 OUTLIER -110.5 142.61 42.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.504 -0.317 . . . . 0.89000000000000001 110.786 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.686 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 14.7 tttp -46.93 -43.83 43.78 Favored Pre-proline 0 N--CA 1.472 0.648 0 N-CA-C 113.758 1.021 . . . . 1.1100000000000001 113.758 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 35.9 Cg_endo -67.3 59.34 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.849 1.699 . . . . 1.01 112.635 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.65 152.91 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.799 -0.637 . . . . 1.3600000000000001 110.334 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.3 171.3 10.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.628 -0.26 . . . . 0.92000000000000004 110.456 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -52.63 -45.75 66.78 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.41 0.444 . . . . 0.92000000000000004 111.429 179.127 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.44 -47.79 74.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.448 -0.342 . . . . 1.8500000000000001 110.695 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.61 -44.66 99.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.913 -0.585 . . . . 0.93000000000000005 111.275 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.9 tt -67.6 -35.97 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.518 -0.31 . . . . 1.1799999999999999 110.675 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -67.8 -35.24 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 1.8999999999999999 110.435 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.59 -51.01 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.995 -0.548 . . . . 2.25 110.509 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.0 m -62.47 -40.12 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.62 111.095 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.631 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.5 OUTLIER -59.65 -54.9 41.0 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.85999999999999999 110.513 176.752 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 54.2 m -61.33 -46.0 92.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.512 -0.767 . . . . 0.87 111.722 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -39.47 94.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 1.4199999999999999 111.449 -177.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.9 -31.55 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 1.5900000000000001 111.514 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 0.60999999999999999 110.414 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.5 OUTLIER -69.61 -33.97 73.42 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.163 -0.31 . . . . 1.8700000000000001 110.163 178.141 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.588 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -63.48 -47.49 81.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.328 -0.396 . . . . 3.1099999999999999 110.61 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.4 -30.24 34.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.942 -0.303 . . . . 0.75 110.413 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -48.57 78.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 3.5800000000000001 110.768 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.588 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.7 OUTLIER -78.17 -16.7 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 2.7799999999999998 111.359 -178.568 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.5 m -79.92 -44.27 20.68 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.823 -0.351 . . . . 1.3400000000000001 110.808 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.915 0.388 . . . . 3.5299999999999998 110.59 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.663 0.268 . . . . 1.8999999999999999 110.431 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -91.7 121.77 33.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.055 -0.521 . . . . 1.9299999999999999 109.644 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.611 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.1 mm -117.23 141.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.46999999999999997 110.637 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.599 ' O ' ' HG ' ' A' ' 873' ' ' LEU . 0.3 OUTLIER -98.61 115.25 28.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.521 . . . . 1.3700000000000001 109.728 176.856 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.6 m -111.09 103.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.704 0.764 . . . . 1.0600000000000001 110.735 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.799 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.8 t -104.4 141.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.344 -0.844 . . . . 1.0700000000000001 109.864 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 9.4 t70 -158.05 127.08 5.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 1.3 110.207 169.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.25 9.42 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.874 -0.603 . . . . 2.0299999999999998 112.516 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 2.7 m170 -133.89 127.14 19.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 122.089 -0.382 . . . . 2.1200000000000001 110.345 173.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 62.2 Cg_exo -52.17 -43.01 56.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.763 2.975 . . . . 1.1200000000000001 114.263 -172.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 835' ' ' ILE . 0.2 OUTLIER -64.82 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.084 -0.246 . . . . 2.2599999999999998 111.122 -175.676 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.4 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 3.2 t30 -83.18 -29.79 28.31 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.455 -0.498 . . . . 1.8300000000000001 110.75 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.23 -42.54 91.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.49 -0.559 . . . . 2.7799999999999998 109.49 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -61.51 -50.28 73.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.281 -0.872 . . . . 2.75 110.303 176.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -70.45 -33.21 71.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.887 -0.597 . . . . 1.1399999999999999 111.589 -172.556 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.09 -37.46 75.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.787 -0.642 . . . . 1.4299999999999999 109.97 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.82 65.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.164 -0.471 . . . . 0.59999999999999998 110.337 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -48.48 79.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 1.3400000000000001 109.458 175.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.861 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.3 mp0 -59.95 -50.2 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.064 -0.971 . . . . 1.8500000000000001 111.173 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.6 tp -63.55 -35.87 81.9 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.017 0.437 . . . . 1.24 111.017 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.5 -31.44 78.74 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.097 -0.573 . . . . 0.52000000000000002 111.706 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 14.7 m -68.52 -28.11 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.69999999999999996 110.265 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -39.73 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 1.5600000000000001 109.576 172.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.98 20.32 24.04 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.551 -0.75 . . . . 0.62 111.434 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -100.13 156.69 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 1.22 111.049 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.35 124.59 23.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 2.3799999999999999 110.584 -176.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -110.44 103.54 12.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.978 -0.555 . . . . 0.93999999999999995 111.212 -175.413 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -92.29 115.78 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 1.4399999999999999 108.897 175.208 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.09 142.21 27.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.207 0.527 . . . . 0.62 112.381 -171.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -156.32 168.35 27.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.011 -0.995 . . . . 0.46999999999999997 108.5 175.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.7 p-10 -151.11 73.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 1.8999999999999999 112.189 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.888 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 30.2 t0 164.02 157.56 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.825 -1.08 . . . . 1.45 109.312 173.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.11 67.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.768 -0.73 . . . . 0.57999999999999996 111.298 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.82 -28.54 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.94999999999999996 110.685 176.395 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.888 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 15.6 t0 -56.67 -38.5 72.3 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.012 0.434 . . . . 0.83999999999999997 110.05 173.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.96 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.76 -0.654 . . . . 0.51000000000000001 110.837 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.536 ' CD2' HG12 ' A' ' 890' ' ' ILE . 1.3 mm? -57.77 -50.32 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 1.8500000000000001 110.724 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -60.86 -50.44 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.543 -0.753 . . . . 1.72 111.244 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 828' ' ' LEU . 14.6 p -67.35 -32.32 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.554 -0.294 . . . . 0.89000000000000001 111.29 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.441 HD22 HD21 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -66.79 -33.31 75.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 1.6599999999999999 110.914 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 7.3 m -79.89 -27.61 39.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.81999999999999995 111.197 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 -0.62 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.059 0.392 . . . . 3.46 112.059 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -160.35 137.71 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.318 -0.253 . . . . 1.8600000000000001 110.318 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -89.65 130.41 35.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.214 0.531 . . . . 3.1200000000000001 111.222 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.552 HD13 HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -130.32 145.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 1.0600000000000001 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.58 -55.52 3.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.984 0.421 . . . . 1.6399999999999999 110.699 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 827' ' ' ILE . 24.8 mt -106.96 121.42 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.168 -0.469 . . . . 1.03 110.067 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 899' ' ' VAL . 87.0 t -115.28 128.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 0.67000000000000004 110.929 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 828' ' ' LEU . 1.1 pp -136.53 137.85 40.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 0.87 110.295 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.799 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -125.62 117.67 24.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.232 0.539 . . . . 0.72999999999999998 110.216 179.722 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.727 ' HB2' ' O ' ' A' ' 830' ' ' VAL . 0.6 OUTLIER -92.32 106.3 18.33 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.43 -0.805 . . . . 1.3400000000000001 111.186 -177.389 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.833 -0.621 . . . . 1.29 109.571 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.542 ' HA ' ' HB3' ' A' ' 912' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 123.005 1.383 . . . . 2.8399999999999999 108.501 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.538 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -80.71 -28.23 36.72 Favored 'General case' 0 N--CA 1.416 -2.137 0 C-N-CA 117.817 -1.553 . . . . 3.3599999999999999 113.795 -173.219 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -58.48 -47.77 82.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.103 0.954 . . . . 2.3399999999999999 109.274 -167.24 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.96 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 31.7 m -81.4 -24.79 36.71 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.366 -1.288 . . . . 1.28 110.053 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.802 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 25.4 tp60 -54.52 -40.53 68.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.598 -0.519 . . . . 2.1699999999999999 109.598 174.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -36.52 69.11 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.995 -0.548 . . . . 2.3599999999999999 110.491 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.667 HG13 ' HA ' ' A' ' 887' ' ' THR . 4.0 mt -54.82 -50.33 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.136 0.493 . . . . 1.71 111.036 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -71.65 -24.59 61.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 2.2400000000000002 111.115 -178.285 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.09 -31.83 71.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 2.6200000000000001 110.744 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -14.64 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.9099999999999999 110.215 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.44 31.88 6.59 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.675 -0.774 . . . . 1.1200000000000001 112.639 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.441 HD21 HD22 ' A' ' 864' ' ' LEU . 0.1 OUTLIER -71.07 142.22 50.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 2.8900000000000001 110.572 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 10.4 t -147.96 38.74 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.894 0.854 . . . . 2.4900000000000002 109.76 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 161.59 54.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.16 -0.927 . . . . 1.3999999999999999 109.433 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.515 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 29.1 Cg_endo -62.33 113.81 2.08 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 122.784 2.323 . . . . 0.72999999999999998 113.203 -176.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.805 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 61.3 t -113.85 125.23 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.64000000000000001 110.598 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 873' ' ' LEU . 0.6 OUTLIER -101.45 126.33 55.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.794 -0.639 . . . . 0.64000000000000001 109.973 177.598 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -110.75 110.49 2.81 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.689 -0.767 . . . . 0.47999999999999998 111.792 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 923' ' ' LEU . 61.1 t -92.09 117.4 35.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.684 -0.487 . . . . 1.04 109.684 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 909' ' ' GLU . 13.2 p -107.19 158.98 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.89000000000000001 111.434 -171.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.77 103.99 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.501 -0.318 . . . . 1.1899999999999999 111.084 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.04 32.39 18.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.62 -0.718 . . . . 2.7000000000000002 112.426 175.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -93.7 92.84 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 2.8100000000000001 109.177 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.51 14.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.908 0.707 . . . . 3.9300000000000002 112.908 -171.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.6 25.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 2.0899999999999999 110.306 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.603 ' HB2' HG21 ' A' ' 903' ' ' THR . 0.0 OUTLIER -67.73 -28.8 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 3.3100000000000001 111.231 -175.265 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.68 -29.64 70.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.115 0.483 . . . . 3.5800000000000001 109.871 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -40.8 67.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.972 -0.558 . . . . 2.29 110.73 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.726 ' O ' ' HG3' ' A' ' 916' ' ' GLU . 5.3 mp0 -70.65 -34.28 71.88 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 119.09 -1.044 . . . . 2.6499999999999999 109.362 175.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -51.32 -40.34 58.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.171 0.51 . . . . 4.0499999999999998 110.157 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 14.1 m -76.56 -30.72 57.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.817 -0.629 . . . . 1.6499999999999999 111.655 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.5 OUTLIER -71.4 -53.18 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.082 0.401 . . . . 1.8799999999999999 112.082 -178.195 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.96 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.1 OUTLIER -67.73 -34.34 76.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.788 0.435 . . . . 3.4700000000000002 111.128 176.117 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.81 51.19 17.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.367 1.247 . . . . 1.3500000000000001 114.367 172.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.42 23.87 1.53 Allowed Glycine 0 C--N 1.32 -0.316 0 C-N-CA 120.026 -1.083 . . . . 1.02 111.742 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.805 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.7 ttm -103.97 -125.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.621 0.248 . . . . 2.0099999999999998 110.978 -174.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.4 t70 175.47 -54.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.865 -0.791 . . . . 1.26 108.865 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.03 152.19 35.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.35 -0.841 . . . . 1.26 110.203 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 6.6 m -116.42 145.01 43.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 1.1299999999999999 110.745 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.635 ' HB2' HG22 ' A' ' 902' ' ' VAL . 19.4 mt -126.07 -179.56 4.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.384 -0.371 . . . . 0.68999999999999995 110.108 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 27.5 m -108.27 148.5 29.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.828 -0.434 . . . . 0.89000000000000001 109.828 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.507 ' HD2' HG12 ' A' ' 902' ' ' VAL . 2.6 tptp -50.49 -44.06 81.85 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 114.873 1.434 . . . . 1.1100000000000001 114.873 -170.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -69.05 57.43 1.15 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.182 1.921 . . . . 1.01 113.541 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.53 109.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.172 0.511 . . . . 1.3600000000000001 110.683 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -179.21 4.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.867 -0.606 . . . . 0.92000000000000004 110.731 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -57.28 -43.86 83.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.632 0.254 . . . . 0.92000000000000004 111.185 -177.8 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.31 -44.72 90.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 1.8500000000000001 110.412 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.74 -47.65 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.712 -0.677 . . . . 0.93000000000000005 110.753 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 843' ' ' GLN . 1.6 tt -67.49 -29.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.005 -0.278 . . . . 1.1799999999999999 111.005 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -48.43 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.477 0.177 . . . . 1.8999999999999999 111.477 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -38.7 92.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.464 -0.495 . . . . 2.25 110.541 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 935' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 1.5 m -67.39 -44.46 78.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.352 -0.386 . . . . 0.62 110.858 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -63.35 -50.98 67.84 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.388 -0.369 . . . . 0.85999999999999999 111.347 -177.794 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 53.9 m -62.37 -41.08 98.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.693 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -42.7 66.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 1.4199999999999999 110.917 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.62 -49.05 70.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 1.5900000000000001 110.807 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -58.76 -41.33 86.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.60999999999999999 111.497 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 1.8700000000000001 110.543 179.006 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.418 HH22 ' CG ' ' A' ' 920' ' ' ASP . 0.0 OUTLIER -73.8 -43.21 59.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.501 -0.318 . . . . 3.1099999999999999 110.935 -176.022 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 940' ' ' ALA . 33.7 m -71.54 -29.8 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.615 0.245 . . . . 0.75 110.886 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -64.1 -43.25 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.954 -0.387 . . . . 3.5800000000000001 109.954 174.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.4 mttm -74.23 -19.58 60.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 2.7799999999999998 110.957 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.5 m -82.81 -30.3 28.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 1.3400000000000001 111.293 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 947' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 3.5299999999999998 110.696 -178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.0 mtp . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 109.707 -0.479 . . . . 1.8999999999999999 109.707 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.514 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.4 mtm -87.33 117.99 26.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.667 -0.697 . . . . 1.9299999999999999 110.842 -174.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.7 mm -118.52 129.56 74.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.011 -0.54 . . . . 0.46999999999999997 109.881 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.545 ' HG ' HD13 ' A' ' 869' ' ' ILE . 0.4 OUTLIER -94.79 116.5 28.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.93 -0.577 . . . . 1.3700000000000001 110.934 -178.467 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 3.9 m -95.29 95.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 1.0600000000000001 109.365 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.546 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.3 t -106.45 83.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 1.0700000000000001 111.178 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.801 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -114.37 153.65 29.45 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 121.1 -0.24 . . . . 1.3 111.035 -174.275 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.26 -19.6 22.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.518 0.562 . . . . 2.0299999999999998 112.518 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -107.42 105.25 55.41 Favored Pre-proline 0 C--O 1.221 -0.443 0 O-C-N 122.396 -0.19 . . . . 2.1200000000000001 110.785 -174.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.9 Cg_endo -42.41 -40.07 6.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.816 3.011 . . . . 1.1200000000000001 114.241 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.419 ' H ' HG22 ' A' ' 835' ' ' ILE . 1.3 tt -62.94 -41.02 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.125 0.488 . . . . 2.2599999999999998 111.144 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -32.26 62.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.514 . . . . 1.8300000000000001 110.177 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.421 ' HD3' ' OD1' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -56.49 -43.69 79.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 2.7799999999999998 110.015 173.6 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.493 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.98 -51.01 71.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.497 -0.774 . . . . 2.75 110.509 178.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.493 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.63 -32.85 62.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.47 -0.786 . . . . 1.1399999999999999 111.713 -171.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.29 -42.78 62.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.086 -0.506 . . . . 1.4299999999999999 110.386 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.77 -24.56 63.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.181 0.515 . . . . 0.59999999999999998 110.085 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.03 -49.76 66.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 1.3400000000000001 109.902 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.9 -37.24 81.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.834 -0.621 . . . . 1.8500000000000001 110.218 176.136 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.69 -42.71 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.624 -0.716 . . . . 1.24 110.336 176.116 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.79 75.73 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.674 -0.694 . . . . 0.52000000000000002 112.354 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 4.2 m -61.82 -40.84 96.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.46 0.171 . . . . 0.69999999999999996 110.91 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.903 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.69 -39.87 88.3 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.492 -0.558 . . . . 1.5600000000000001 109.492 175.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 98.5 38.59 3.92 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.66 -0.7 . . . . 0.62 112.396 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -113.25 -176.31 2.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.997 -0.371 . . . . 1.22 109.997 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.2 OUTLIER -84.99 108.29 17.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.627 -0.26 . . . . 2.3799999999999999 110.899 -176.064 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 116.43 27.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.558 -0.292 . . . . 0.93999999999999995 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 828' ' ' LEU . 2.2 mptp? -112.13 132.18 55.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.134 -0.691 . . . . 1.4399999999999999 109.134 175.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.05 138.89 33.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.352 0.501 . . . . 0.62 112.352 -171.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 830' ' ' VAL . . . -158.66 163.86 36.49 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.993 -0.743 . . . . 0.46999999999999997 108.993 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 17.4 p-10 -149.9 72.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.706 -0.797 . . . . 1.8999999999999999 112.989 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.55 161.19 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.646 1.179 . . . . 1.45 109.505 166.466 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -63.2 -43.31 98.78 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.041 -0.6 . . . . 0.57999999999999996 113.366 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.478 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 3.9 m -73.95 -31.21 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.465 . . . . 0.94999999999999996 110.852 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.429 ' HB2' ' OD2' ' A' ' 856' ' ' ASP . 5.1 t0 -59.49 -39.17 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.83999999999999997 110.578 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -59.13 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 0.51000000000000001 111.486 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.573 ' HB3' HG12 ' A' ' 890' ' ' ILE . 1.5 pp -72.69 -35.02 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 1.8500000000000001 111.065 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.3 -48.11 76.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.168 0.508 . . . . 1.72 110.762 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.456 ' CG1' HD11 ' A' ' 828' ' ' LEU . 4.7 p -70.82 -31.05 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.128 -0.487 . . . . 0.89000000000000001 110.692 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -66.48 -35.74 81.03 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.933 0.345 . . . . 1.6599999999999999 111.933 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -39.15 66.08 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.87 -0.332 . . . . 0.81999999999999995 110.186 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -67.27 -49.7 63.31 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.117 0.484 . . . . 3.46 110.874 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.25 128.4 37.77 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.134 -0.691 . . . . 1.8600000000000001 109.134 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -82.18 139.83 34.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.177 0.513 . . . . 3.1200000000000001 111.437 -172.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.545 HD13 ' HG ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -125.19 155.08 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.268 -0.878 . . . . 1.0600000000000001 109.133 -177.736 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.42 -53.81 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 1.6399999999999999 111.356 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 1.2 mm -132.22 138.62 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.372 -0.376 . . . . 1.03 110.621 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 897' ' ' LEU . 16.9 t -116.92 135.19 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.222 -0.191 . . . . 0.67000000000000004 110.588 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -124.97 108.52 11.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 0.87 110.203 175.11 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.402 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.7 OUTLIER -91.45 99.78 12.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.72999999999999998 110.32 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 32.9 t0 -90.05 105.63 17.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.438 -0.801 . . . . 1.3400000000000001 110.122 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.315 0.579 . . . . 1.29 112.019 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.802 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 2.8 p90 . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 122.089 0.947 . . . . 2.8399999999999999 110.712 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.614 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.46 -26.4 63.32 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.031 -0.986 . . . . 3.3599999999999999 111.492 -162.643 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.522 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.06 -34.79 78.88 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.802 0.81 . . . . 2.3399999999999999 109.104 -172.149 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.702 ' HA ' HD12 ' A' ' 890' ' ' ILE . 5.8 m -79.77 -27.11 40.47 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.578 -1.192 . . . . 1.28 110.078 178.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.469 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 2.0 tt0 -61.1 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.461 -0.57 . . . . 2.1699999999999999 109.461 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.5 OUTLIER -60.36 -40.99 92.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.116 -0.947 . . . . 2.3599999999999999 110.361 174.342 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 887' ' ' THR . 74.6 mt -56.61 -49.59 77.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.979 -0.555 . . . . 1.71 110.745 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.897 -0.592 . . . . 2.2400000000000002 110.782 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.498 ' HG2' HH11 ' A' ' 889' ' ' ARG . 2.9 tp60 -62.23 -35.22 78.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.6200000000000001 110.521 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -26.1 63.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 1.9099999999999999 110.965 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 69.83 61.04 4.57 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.941 -0.647 . . . . 1.1200000000000001 111.509 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.707 HD11 HD22 ' A' ' 897' ' ' LEU . 0.0 OUTLIER -89.53 145.88 24.98 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.838 0.351 . . . . 2.8900000000000001 110.522 -175.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.47 68.49 1.38 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.4900000000000002 111.682 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -164.68 146.26 6.67 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.151 -0.477 . . . . 1.3999999999999999 110.602 -175.738 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -81.84 133.99 8.23 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.671 2.247 . . . . 0.72999999999999998 112.156 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 3.3 t -110.56 114.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.64000000000000001 110.445 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 1.032 HG23 ' HB2' ' A' ' 921' ' ' SER . 3.4 mt -98.55 106.95 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.704 . . . . 0.64000000000000001 110.073 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 901' ' ' GLY . . . . . 0.42 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -83.93 103.87 2.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.685 -0.769 . . . . 0.47999999999999998 112.57 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -81.43 94.24 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 173.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.443 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 1.8 p -102.28 152.71 20.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.426 0.528 . . . . 0.89000000000000001 112.426 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 925' ' ' LYS . . . -135.69 103.15 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 1.1899999999999999 110.563 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 10.8 t30 44.56 72.3 0.21 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.946 -1.024 . . . . 2.7000000000000002 112.869 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.876 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -105.15 28.76 6.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.943 -0.572 . . . . 2.8100000000000001 110.123 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 11.4 mt 72.72 -67.8 0.25 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.189 -0.914 . . . . 3.9300000000000002 111.981 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -137.4 67.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.971 0.415 . . . . 2.0899999999999999 110.606 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.876 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 31.7 mp0 -58.96 -49.64 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.742 -0.663 . . . . 3.3100000000000001 111.795 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -26.62 67.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.768 0.318 . . . . 3.5800000000000001 110.605 -176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.24 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.3 -0.409 . . . . 2.29 110.32 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.802 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.9 mt-30 -74.52 -37.3 63.13 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 119.476 -0.89 . . . . 2.6499999999999999 109.261 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.534 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -52.81 -40.34 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.421 0.451 . . . . 4.0499999999999998 110.75 177.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.12 -29.39 54.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.399 -0.364 . . . . 1.6499999999999999 111.245 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 915' ' ' LEU . 0.7 OUTLIER -70.21 -52.16 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 1.8799999999999999 111.251 -177.66 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.4 -38.39 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 3.4700000000000002 110.59 177.737 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.74 50.58 17.79 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.458 -0.792 . . . . 1.3500000000000001 112.691 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -131.15 -6.06 3.62 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.231 -0.985 . . . . 1.02 112.852 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.836 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.5 mtm -85.64 -98.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.408 0.104 . . . . 2.0099999999999998 110.87 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.4 t70 133.01 -55.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.227 1.811 . . . . 1.26 110.368 172.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 921' ' ' SER . . . . . 1.032 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -104.3 156.64 17.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.675 -0.239 . . . . 1.26 110.881 -177.131 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.38 135.03 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.372 . . . . 1.1299999999999999 111.048 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.435 ' HB2' HG13 ' A' ' 902' ' ' VAL . 0.4 OUTLIER -132.82 -175.32 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.763 -0.458 . . . . 0.68999999999999995 109.763 177.016 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 927' ' ' VAL . 0.3 OUTLIER -108.63 140.24 42.28 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.59 -0.522 . . . . 0.89000000000000001 109.59 176.497 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.449 ' HE2' ' OD1' ' A' ' 875' ' ' ASP . 5.4 ttmm -46.52 -48.45 47.49 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.907 0.706 . . . . 1.1100000000000001 112.907 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 51.0 Cg_endo -70.06 69.54 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.748 1.632 . . . . 1.01 112.487 175.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 927' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 924' ' ' SER . 0.1 OUTLIER -87.52 169.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.3600000000000001 110.435 175.488 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.51 172.82 11.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.92000000000000004 110.491 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -46.85 88.58 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.173 0.295 . . . . 0.92000000000000004 111.685 -174.479 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 930' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 0.2 OUTLIER -75.52 -30.39 59.77 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.811 -0.356 . . . . 1.8500000000000001 111.103 -177.188 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.99 -44.91 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 0.93000000000000005 109.895 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.537 HG23 HD21 ' A' ' 847' ' ' LEU . 2.5 tt -69.98 -24.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 1.1799999999999999 110.225 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -71.67 -48.2 49.17 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.24 -0.436 . . . . 1.8999999999999999 111.295 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.431 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -67.32 -36.5 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.627 -0.429 . . . . 2.25 110.263 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 93.3 m -65.5 -49.55 68.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.743 0.306 . . . . 0.62 111.006 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.903 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.43 -49.66 76.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.85999999999999999 110.568 179.281 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.6 m -65.61 -41.89 92.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.586 -0.734 . . . . 0.87 111.844 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -47.12 87.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 1.4199999999999999 110.998 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.7 OUTLIER -73.19 -30.0 63.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 1.5900000000000001 110.977 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.76 93.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.60999999999999999 110.625 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -64.66 -36.7 85.12 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.802 -0.444 . . . . 1.8700000000000001 109.802 176.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -63.5 -48.08 79.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.02 -0.536 . . . . 3.1099999999999999 111.153 -177.096 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.8 m -75.37 -31.47 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.474 -0.33 . . . . 0.75 111.223 -178.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -75.69 -37.3 59.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.997 -0.281 . . . . 3.5800000000000001 111.411 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -30.55 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 2.7799999999999998 110.601 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 17.9 m -79.15 -21.45 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 1.3400000000000001 110.615 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 3.5299999999999998 110.936 -179.669 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.416 -0.587 . . . . 1.8999999999999999 109.416 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.603 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 27.3 mtm -89.98 115.65 27.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 1.9299999999999999 110.9 -174.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.957 ' HB ' HD21 ' A' ' 844' ' ' LEU . 0.9 OUTLIER -109.17 134.98 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.147 0.499 . . . . 0.46999999999999997 110.569 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.64 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.7 OUTLIER -98.45 105.41 17.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.781 -0.645 . . . . 1.3700000000000001 110.333 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.694 HG23 HD23 ' A' ' 840' ' ' LEU . 0.2 OUTLIER -92.12 104.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.572 0.701 . . . . 1.0600000000000001 109.447 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.861 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 11.4 t -113.35 133.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.545 -0.752 . . . . 1.0700000000000001 109.935 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -159.03 138.97 11.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.956 -0.387 . . . . 1.3 109.956 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -81.19 -7.51 59.58 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.171 0.804 . . . . 2.0299999999999998 113.171 -175.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -122.82 96.57 45.08 Favored Pre-proline 0 N--CA 1.467 0.407 0 O-C-N 121.431 -0.793 . . . . 2.1200000000000001 111.405 -174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -30.74 -52.0 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.769 1 C-N-CA 125.418 4.079 . . . . 1.1200000000000001 116.305 -170.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.4 -41.94 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.155 0.503 . . . . 2.2599999999999998 111.6 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.519 HD22 ' HA ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -78.52 -32.44 48.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.067 -0.346 . . . . 1.8300000000000001 110.067 -178.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -57.97 -47.22 83.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 2.7799999999999998 110.796 175.449 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -36.83 83.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.438 -0.346 . . . . 2.75 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -48.11 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 1.1399999999999999 110.526 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.694 HD23 HG23 ' A' ' 829' ' ' VAL . 17.2 tp -61.42 -40.23 93.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.728 -0.669 . . . . 1.4299999999999999 111.003 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.77 73.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.59999999999999998 110.747 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.96 -49.09 71.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 1.3400000000000001 110.244 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -39.55 72.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.608 0.567 . . . . 1.8500000000000001 110.488 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.5 tp -62.38 -40.37 96.24 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.64 -0.709 . . . . 1.24 110.686 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.84 79.56 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.925 -0.655 . . . . 0.52000000000000002 112.246 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -35.68 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.69999999999999996 110.625 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.59 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.63 -34.94 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.035 -0.53 . . . . 1.5600000000000001 110.847 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 99.25 20.11 18.98 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.836 -0.697 . . . . 0.62 112.287 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.71 165.99 10.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.385 -0.228 . . . . 1.22 110.385 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.9 OUTLIER -70.01 131.28 44.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 2.3799999999999999 110.963 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.12 104.6 10.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.27 -0.423 . . . . 0.93999999999999995 111.513 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.435 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -105.71 118.82 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.373 -0.603 . . . . 1.4399999999999999 109.373 175.278 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.28 132.95 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.187 0.44 . . . . 0.62 112.187 -171.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.69 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -142.26 166.97 23.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.46999999999999997 109.768 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.595 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 17.4 p-10 -147.02 73.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.245 0.545 . . . . 1.8999999999999999 111.763 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t0 163.72 164.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.908 -1.042 . . . . 1.45 109.003 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -76.42 -46.11 12.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.175 -1.012 . . . . 0.57999999999999996 110.604 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 861' ' ' LEU . 7.2 m -66.56 -29.01 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.429 . . . . 0.94999999999999996 110.475 177.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 34.2 t0 -56.03 -42.89 77.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.67 -0.695 . . . . 0.83999999999999997 110.369 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -64.2 -36.27 83.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 0.51000000000000001 110.593 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.551 ' CD2' ' HG3' ' A' ' 889' ' ' ARG . 3.0 mp -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 1.8500000000000001 110.624 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.86 -55.55 33.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 1.72 110.791 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.576 ' CG1' HD11 ' A' ' 828' ' ' LEU . 9.6 p -66.61 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 115.895 -0.593 . . . . 0.89000000000000001 111.122 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -62.77 -37.37 86.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.072 0.463 . . . . 1.6599999999999999 110.818 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.3 m -72.93 -26.81 61.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.781 -0.645 . . . . 0.81999999999999995 111.151 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -82.52 -48.06 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 3.46 110.919 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -143.57 135.3 26.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.95 -0.568 . . . . 1.8600000000000001 109.913 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.85 111.85 8.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.995 0.426 . . . . 3.1200000000000001 111.767 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.64 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -88.13 151.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 1.0600000000000001 109.326 174.187 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 870' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 12.2 m-20 -80.85 -54.88 5.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.537 -0.301 . . . . 1.6399999999999999 111.774 -173.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 136.91 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.598 -0.273 . . . . 1.03 110.281 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 897' ' ' LEU . 52.9 t -108.95 129.93 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.654 -0.248 . . . . 0.67000000000000004 110.489 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.41 99.18 6.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.664 -0.495 . . . . 0.87 109.664 172.403 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.861 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -104.18 109.61 21.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.72999999999999998 110.87 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.584 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 35.4 t0 -95.29 117.98 31.24 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.596 0.712 . . . . 1.3400000000000001 110.521 177.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.29 111.401 -174.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.739 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 2.8 p90 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 122.842 1.306 . . . . 2.8399999999999999 109.619 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.75 ' HD3' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -66.94 -22.61 65.93 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.314 -0.866 . . . . 3.3599999999999999 111.058 -170.34 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -45.97 89.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.578 0.704 . . . . 2.3399999999999999 109.655 -169.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.716 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 3.8 m -73.04 -31.13 64.23 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.028 -0.987 . . . . 1.28 109.966 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.75 ' HB3' ' HD3' ' A' ' 885' ' ' ARG . 6.4 tt0 -59.98 -37.41 79.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.3 0.572 . . . . 2.1699999999999999 110.27 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 861' ' ' LEU . 1.4 tpm_? -68.55 -37.78 80.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.347 -0.842 . . . . 2.3599999999999999 110.382 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 890' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -37.2 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.686 0.279 . . . . 1.71 110.849 177.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.69 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -72.96 -41.77 64.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.94 0.4 . . . . 2.2400000000000002 110.422 179.392 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 1.1 tp-100 -68.3 -25.3 65.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.992 -0.549 . . . . 2.6200000000000001 110.604 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -50.97 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.002 -0.545 . . . . 1.9099999999999999 110.302 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.17 87.55 0.71 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.674 -0.774 . . . . 1.1200000000000001 111.881 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 2.8900000000000001 110.935 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.37 32.35 5.37 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.435 0.636 . . . . 2.4900000000000002 109.898 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 872' ' ' VAL . 1.1 pt? -156.28 155.72 29.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.49 -0.777 . . . . 1.3999999999999999 109.747 -174.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.81 127.98 14.47 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 122.63 2.22 . . . . 0.72999999999999998 111.97 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.916 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 57.0 t -106.47 113.62 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.559 0.695 . . . . 0.64000000000000001 110.422 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 873' ' ' LEU . 7.2 mt -97.4 105.43 17.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.359 -0.837 . . . . 0.64000000000000001 109.941 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 901' ' ' GLY . . . . . 0.471 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -86.51 109.47 3.4 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.852 -0.69 . . . . 0.47999999999999998 112.277 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -89.09 128.42 41.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.451 -0.944 . . . . 1.04 108.451 174.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 924' ' ' SER . 4.7 p -144.72 162.01 37.79 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.936 -0.306 . . . . 0.89000000000000001 111.036 -174.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -139.62 102.75 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.0 -0.28 . . . . 1.1899999999999999 110.692 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t30 42.54 74.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.133 0.895 . . . . 2.7000000000000002 112.706 176.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -103.2 22.39 14.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 2.8100000000000001 110.169 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.71 73.72 0.47 Allowed 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.292 -0.867 . . . . 3.9300000000000002 110.6 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . 73.17 56.61 0.11 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.75 -1.114 . . . . 2.0899999999999999 111.078 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.534 ' HA ' ' OE1' ' A' ' 912' ' ' GLN . 9.0 pm0 -61.56 -31.36 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 3.3100000000000001 110.187 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.87 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.889 -0.596 . . . . 3.5800000000000001 110.02 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 911' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -71.93 -34.75 69.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.479 179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.664 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 3.3 mp0 -67.53 -38.17 83.81 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.326 -0.95 . . . . 2.6499999999999999 108.764 173.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.428 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -54.17 -32.97 56.89 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.511 0.507 . . . . 4.0499999999999998 111.15 177.183 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -29.99 52.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 1.6499999999999999 111.206 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 912' ' ' GLN . 22.6 mt -72.99 -53.27 11.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.976 0.361 . . . . 1.8799999999999999 111.976 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.739 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.23 -41.28 34.78 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.993 0.368 . . . . 3.4700000000000002 111.993 -178.291 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 917' ' ' SER . . . . . 0.69 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 52.18 52.07 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 114.058 1.132 . . . . 1.3500000000000001 114.058 174.28 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -135.74 24.13 3.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.255 -0.974 . . . . 1.02 111.93 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.916 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.5 mtt -103.13 -120.41 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 2.0099999999999998 111.296 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.544 ' H ' ' HB3' ' A' ' 919' ' ' MET . 31.4 t0 162.52 -52.78 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.799 1.24 . . . . 1.26 109.073 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -123.26 161.03 25.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.615 -0.72 . . . . 1.26 110.501 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 0.5 OUTLIER -144.62 132.64 21.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.972 -0.381 . . . . 1.1299999999999999 109.972 177.216 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -176.73 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.56 -0.291 . . . . 0.68999999999999995 110.569 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.1 OUTLIER -101.6 149.7 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.89000000000000001 109.897 178.694 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -47.1 -49.81 49.41 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 113.467 0.914 . . . . 1.1100000000000001 113.467 -178.263 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 56.6 Cg_endo -70.52 60.7 2.1 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.042 1.828 . . . . 1.01 113.825 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 927' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 924' ' ' SER . 56.0 t -79.4 102.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 1.3600000000000001 109.922 173.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.92 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 0.92000000000000004 111.261 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.56 -45.99 80.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.92000000000000004 111.66 -176.351 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.74 -38.73 83.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.067 0.461 . . . . 1.8500000000000001 110.626 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.07 -45.79 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 0.93000000000000005 110.38 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.1 tt -65.57 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 1.1799999999999999 110.409 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 1.8999999999999999 110.398 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.0 -53.9 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 2.25 110.527 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -44.61 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.62 111.593 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -58.65 -59.98 4.55 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.85999999999999999 111.167 -179.019 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.3 m -60.3 -42.32 95.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.87 111.716 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -49.05 62.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.283 . . . . 1.4199999999999999 111.457 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -74.27 -29.59 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.013 -0.275 . . . . 1.5900000000000001 111.324 -175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.66 -43.22 90.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.679 0.276 . . . . 0.60999999999999999 110.29 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -72.06 -27.68 62.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 1.8700000000000001 110.225 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 1.2 ttt180 -65.57 -47.35 76.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 3.1099999999999999 110.057 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.2 -30.27 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 0.75 110.643 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -69.66 -38.01 76.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.451 0.167 . . . . 3.5800000000000001 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -75.42 -27.68 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.635 0.255 . . . . 2.7799999999999998 110.711 178.123 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.0 m -72.68 -35.7 67.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.203 0.525 . . . . 1.3400000000000001 110.306 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 3.5299999999999998 110.554 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 825' ' ' MET . . . . . 0.474 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 1.4 tpp . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.232 -0.284 . . . . 1.8999999999999999 110.232 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 3.7 mtm -95.04 124.52 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.265 -0.425 . . . . 1.9299999999999999 110.817 -177.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -113.88 133.33 60.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.46999999999999997 109.492 176.731 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.533 ' CB ' HG21 ' A' ' 869' ' ' ILE . 32.1 tp -107.93 114.14 27.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.873 0.368 . . . . 1.3700000000000001 110.951 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.609 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -94.17 105.3 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 1.0600000000000001 108.9 174.169 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.1 OUTLIER -109.25 82.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.672 -0.695 . . . . 1.0700000000000001 110.672 -177.013 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 52.8 t0 -108.5 125.63 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.43 -0.582 . . . . 1.3 109.43 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 832' ' ' ASP . . . . . 0.809 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 0.7 OUTLIER -53.86 -36.69 62.88 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.922 0.764 . . . . 2.0299999999999998 111.506 -179.626 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.4 OUTLIER -100.52 109.15 56.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 2.1200000000000001 110.67 -175.356 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 9.5 Cg_endo -52.51 -28.71 37.29 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.482 2.788 . . . . 1.1200000000000001 113.597 -175.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.9 OUTLIER -64.72 -46.7 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.141 0.496 . . . . 2.2599999999999998 111.402 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.622 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.8 OUTLIER -83.6 -23.04 32.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.518 -0.549 . . . . 1.8300000000000001 109.518 179.651 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.485 ' HD3' HG22 ' A' ' 853' ' ' THR . 2.1 ttm180 -60.7 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.405 -0.816 . . . . 2.7799999999999998 110.561 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 838' ' ' ARG . 0.0 OUTLIER -68.91 -29.01 67.2 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.927 -0.309 . . . . 2.75 110.331 178.287 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 836' ' ' ASN . 2.7 mt -63.06 -51.28 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 1.1399999999999999 110.47 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 829' ' ' VAL . 14.3 tp -63.08 -36.68 84.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 1.4299999999999999 110.705 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.2 -28.23 68.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.59999999999999998 111.289 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.37 -41.75 63.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 1.3400000000000001 110.227 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.672 ' HG3' HD23 ' A' ' 929' ' ' LEU . 2.3 mp0 -62.37 -38.45 89.62 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.469 0.652 . . . . 1.8500000000000001 109.808 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -61.63 -37.54 84.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.428 -0.806 . . . . 1.24 109.955 173.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.47 -33.21 85.69 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.396 -0.82 . . . . 0.52000000000000002 112.388 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 -29.8 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.69999999999999996 110.482 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -71.28 -44.9 64.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 1.5600000000000001 110.16 174.265 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.51 24.63 25.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.62 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.2 175.46 5.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.307 -0.257 . . . . 1.22 110.307 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 825' ' ' MET . 4.1 mm-40 -66.59 124.03 21.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.852 0.358 . . . . 2.3799999999999999 110.473 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.72 112.73 24.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.941 -0.572 . . . . 0.93999999999999995 111.14 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.6 127.43 55.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.469 -0.567 . . . . 1.4399999999999999 109.469 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.485 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -106.34 133.8 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.338 0.495 . . . . 0.62 112.338 -174.218 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.03 -172.29 3.85 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.417 -0.586 . . . . 0.46999999999999997 109.417 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.809 ' HB2' ' HA ' ' A' ' 832' ' ' ASP . 12.6 p-10 -156.53 75.28 0.85 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.902 0.704 . . . . 1.8999999999999999 112.902 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.66 ' HB3' ' H ' ' A' ' 859' ' ' ASP . 5.7 t0 164.13 162.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.379 0.672 . . . . 1.45 109.498 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.949 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -82.06 -35.89 19.9 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.332 -1.107 . . . . 0.57999999999999996 110.332 172.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 13.1 m -73.28 -31.15 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.996 0.427 . . . . 0.94999999999999996 110.117 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.66 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 7.8 t0 -76.06 -24.53 55.12 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.679 -0.489 . . . . 0.83999999999999997 109.679 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -47.33 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 0.51000000000000001 110.514 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.3 pp -73.55 -26.96 61.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.749 0.309 . . . . 1.8500000000000001 110.672 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.95 -55.54 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.059 0.457 . . . . 1.72 110.229 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.55 -30.98 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.109 -0.496 . . . . 0.89000000000000001 110.526 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -67.3 -32.46 73.45 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.417 -0.356 . . . . 1.6599999999999999 111.195 176.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 67.2 m -66.53 -33.77 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.952 -0.388 . . . . 0.81999999999999995 109.952 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 866' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 0.4 OUTLIER -74.69 -57.19 4.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.953 -0.567 . . . . 3.46 110.503 175.483 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 867' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 1.9 t-20 -124.68 123.62 40.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.549 -0.537 . . . . 1.8600000000000001 109.549 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -71.41 89.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 3.1200000000000001 110.894 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.533 HG21 ' CB ' ' A' ' 828' ' ' LEU . 1.4 mp -67.91 145.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.726 -0.67 . . . . 1.0600000000000001 109.569 172.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -87.45 -68.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 1.6399999999999999 111.098 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.485 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.1 mt -99.74 130.78 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.03 110.158 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.05 131.25 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.69 0.281 . . . . 0.67000000000000004 111.564 -174.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.634 HD23 HD12 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -116.19 99.43 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.87 109.655 174.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.452 ' HA ' HG23 ' A' ' 830' ' ' VAL . 1.5 p -85.28 102.02 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.899 -0.408 . . . . 0.72999999999999998 109.899 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 8.7 t0 -105.0 124.45 49.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.3400000000000001 111.068 -173.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.93 -0.577 . . . . 1.29 110.745 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.627 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 1.1 p90 . . . . . 0 C--O 1.238 0.47 0 CA-C-O 121.426 0.632 . . . . 2.8399999999999999 111.807 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.2 tmm_? -60.83 -30.45 70.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 3.3599999999999999 111.737 -168.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.949 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 1.4 pp -76.94 -18.74 58.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.199 1.0 . . . . 2.3399999999999999 108.315 -172.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 884' ' ' TYR . 73.4 m -70.06 -35.72 74.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.481 -1.69 . . . . 1.28 108.226 173.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 5.6 tt0 -64.13 -39.11 93.33 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.77 -1.105 . . . . 2.1699999999999999 110.861 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.494 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.14 -36.8 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 2.3599999999999999 110.474 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.94 -35.46 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.943 0.401 . . . . 1.71 109.992 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.49 ' NH1' ' HG3' ' A' ' 888' ' ' GLN . 1.4 ttm180 -65.07 -43.97 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.874 -0.603 . . . . 2.2400000000000002 110.343 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -36.17 82.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 2.6200000000000001 111.346 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 893' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.36 -23.01 61.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.527 . . . . 1.9099999999999999 110.861 -178.069 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 98.67 82.86 1.69 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.8 -0.92 . . . . 1.1200000000000001 110.8 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.508 ' HB3' HG23 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -79.3 128.89 33.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.82 0.819 . . . . 2.8900000000000001 112.335 -172.216 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 896' ' ' THR . . . . . 0.774 ' H ' HD22 ' A' ' 897' ' ' LEU . 0.1 OUTLIER -112.22 6.42 18.97 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.314 -1.365 . . . . 2.4900000000000002 107.314 170.341 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 896' ' ' THR . 1.2 mm? -105.81 130.5 22.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 113.874 -1.512 . . . . 1.3999999999999999 111.729 -163.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.18 106.73 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.69 2.26 . . . . 0.72999999999999998 109.741 166.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.954 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 40.1 t -102.61 123.81 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.445 0.641 . . . . 0.64000000000000001 112.14 -171.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.634 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -104.62 112.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.41 -0.813 . . . . 0.64000000000000001 109.038 173.494 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.79 121.53 6.42 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.773 -0.727 . . . . 0.47999999999999998 112.451 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.16 94.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.235 -0.654 . . . . 1.04 109.235 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.3 OUTLIER -96.9 163.02 13.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.054 -0.521 . . . . 0.89000000000000001 111.693 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -121.68 104.2 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 1.1899999999999999 111.703 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.9 t30 40.63 59.98 2.01 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.278 0.987 . . . . 2.7000000000000002 113.097 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 909' ' ' GLU . . . -118.24 92.17 3.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.591 . . . . 2.8100000000000001 109.403 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 126.68 2.82 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.603 0.564 . . . . 3.9300000000000002 111.727 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 71.28 45.08 0.5 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.094 0.871 . . . . 2.0899999999999999 111.049 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 906' ' ' ALA . 4.4 mt-10 -58.45 -42.66 87.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 3.3100000000000001 110.238 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.103 -0.953 . . . . 3.5800000000000001 110.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -36.38 57.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.167 -0.469 . . . . 2.29 110.239 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.553 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -71.94 -35.53 69.63 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.299 -0.56 . . . . 2.6499999999999999 109.792 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -59.4 -40.76 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 4.0499999999999998 110.068 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.89 -35.41 78.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 1.6499999999999999 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -48.25 56.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.8799999999999999 111.745 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.627 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 5.2 mm-40 -77.93 -23.38 48.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.191 -0.459 . . . . 3.4700000000000002 111.328 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.6 m 52.11 53.0 13.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.787 1.403 . . . . 1.3500000000000001 114.787 167.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.44 25.14 1.53 Allowed Glycine 0 C--O 1.226 -0.363 0 C-N-CA 119.968 -1.11 . . . . 1.02 113.108 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.954 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.5 ttm -111.67 -125.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.479 -0.424 . . . . 2.0099999999999998 111.604 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.515 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.8 t70 177.2 -51.89 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.366 -0.834 . . . . 1.26 109.023 174.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 70.7 m -140.31 149.75 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.569 -0.741 . . . . 1.26 110.499 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.41 136.69 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 1.1299999999999999 110.997 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.56 -175.46 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.68999999999999995 109.084 177.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 903' ' ' THR . 2.1 m -128.53 158.31 38.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.704 -0.398 . . . . 0.89000000000000001 110.94 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 4.4 tptp -45.5 -43.45 25.02 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 113.892 1.071 . . . . 1.1100000000000001 113.892 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 32.1 Cg_endo -65.89 68.15 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.006 1.804 . . . . 1.01 113.549 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.64 177.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.3600000000000001 110.175 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.13 167.16 24.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.401 -0.363 . . . . 0.92000000000000004 110.451 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -54.47 -46.83 73.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.804 0.442 . . . . 0.92000000000000004 111.774 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.32 -46.25 70.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.796 0.331 . . . . 1.8500000000000001 110.594 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 19.0 t -60.58 -40.29 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 0.93000000000000005 110.743 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -61.98 -47.33 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.1799999999999999 110.447 178.185 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.564 -0.289 . . . . 1.8999999999999999 111.421 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.58 -54.03 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 2.25 110.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.7 m -65.52 -42.93 91.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.971 -0.559 . . . . 0.62 111.54 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -64.18 -43.1 96.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.596 -0.274 . . . . 0.85999999999999999 111.233 -177.659 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 41.6 m -68.46 -31.67 71.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 0.87 110.891 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -43.29 93.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.509 . . . . 1.4199999999999999 110.4 175.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.97 -39.28 76.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.5900000000000001 110.948 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.56 91.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.60999999999999999 111.287 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -70.04 -35.69 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.912 -0.315 . . . . 1.8700000000000001 110.261 178.384 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.558 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 73.3 mtt180 -60.97 -48.73 80.47 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.167 -0.469 . . . . 3.1099999999999999 110.909 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 7.0 m -72.58 -31.24 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.75 110.989 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 3.5800000000000001 110.857 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 1.7 ptmt -75.5 -29.46 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.775 0.287 . . . . 2.7799999999999998 111.775 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.2 m -72.97 -47.77 42.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.939 -0.304 . . . . 1.3400000000000001 111.387 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.535 -0.302 . . . . 3.5299999999999998 110.814 -179.011 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.112 -0.329 . . . . 1.8999999999999999 110.112 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.821 ' HB2' ' HA ' ' A' ' 869' ' ' ILE . 0.0 OUTLIER -86.12 117.79 25.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 1.9299999999999999 109.749 -179.56 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.687 ' HB ' HD21 ' A' ' 844' ' ' LEU . 18.1 mm -116.55 132.08 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.526 . . . . 0.46999999999999997 111.196 -175.696 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 109.98 21.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.717 -0.674 . . . . 1.3700000000000001 110.231 178.077 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.679 HG13 HD22 ' A' ' 844' ' ' LEU . 0.6 OUTLIER -96.93 105.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.507 0.67 . . . . 1.0600000000000001 109.705 175.89 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 50.9 t -109.93 139.72 31.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.68 -0.691 . . . . 1.0700000000000001 110.641 -178.195 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 11.2 t0 -142.89 140.53 31.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.02 -1.104 . . . . 1.3 108.02 167.2 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 832' ' ' ASP . . . . . 0.584 ' HB3' HG12 ' A' ' 876' ' ' VAL . 1.3 p30 -72.34 -8.11 53.16 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 123.089 0.243 . . . . 2.0299999999999998 111.532 -175.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -128.29 175.72 3.27 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.589 -0.523 . . . . 2.1200000000000001 109.589 174.47 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.426 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 6.1 Cg_exo -81.97 -35.38 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.266 1.977 . . . . 1.1200000000000001 113.84 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.418 HG23 ' HD2' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -64.28 -47.98 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.349 0.499 . . . . 2.2599999999999998 112.349 -171.869 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -22.54 42.66 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.243 -0.583 . . . . 1.8300000000000001 109.684 -178.388 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.0 ttp180 -61.47 -53.15 60.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.83 -0.623 . . . . 2.7799999999999998 110.836 175.216 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -63.97 -32.62 74.22 Favored 'General case' 0 C--O 1.228 -0.034 0 C-N-CA 120.551 -0.46 . . . . 2.75 110.657 179.565 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.52 -52.97 55.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 1.1399999999999999 110.33 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.55 -41.45 97.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.763 -0.653 . . . . 1.4299999999999999 111.151 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.6 84.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.59999999999999998 110.96 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.22 -45.14 93.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.993 0.425 . . . . 1.3400000000000001 109.982 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.436 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -61.02 -48.41 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.634 -0.712 . . . . 1.8500000000000001 110.864 179.586 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 847' ' ' LEU . 35.8 tp -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.24 111.159 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.08 -38.06 95.96 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.987 -0.551 . . . . 0.52000000000000002 112.621 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.3 m -70.96 -25.11 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.69999999999999996 110.741 178.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 844' ' ' LEU . 0.1 OUTLIER -75.68 -28.63 58.76 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.167 -0.679 . . . . 1.5600000000000001 109.167 177.023 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.23 11.51 36.29 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.669 -0.696 . . . . 0.62 113.397 171.341 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -91.29 172.74 8.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.804 0.302 . . . . 1.22 110.251 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.657 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.4 tt0 -71.78 124.1 24.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.525 -0.307 . . . . 2.3799999999999999 110.274 179.214 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.569 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.5 OUTLIER -101.04 104.91 16.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.275 -0.421 . . . . 0.93999999999999995 111.222 -175.282 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.13 109.99 21.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.847 -0.427 . . . . 1.4399999999999999 109.847 175.673 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.447 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -91.39 130.23 37.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.946 0.403 . . . . 0.62 111.893 -175.014 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -144.87 160.98 40.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.46999999999999997 109.361 175.562 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 12.7 p-10 -131.44 70.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.192 -0.603 . . . . 1.8999999999999999 111.697 -175.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.621 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.4 t0 161.42 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.539 -1.21 . . . . 1.45 108.447 171.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.603 ' HA3' ' CB ' ' A' ' 886' ' ' LEU . . . -72.85 -40.85 51.29 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.21 -0.995 . . . . 0.57999999999999996 111.191 177.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 858' ' ' VAL . 0.4 OUTLIER -67.2 -31.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.94999999999999996 110.337 175.84 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.68 -41.18 90.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.83999999999999997 110.466 177.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -61.93 -40.37 95.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.092 -0.504 . . . . 0.51000000000000001 111.047 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.2 OUTLIER -70.47 -33.23 71.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.1 0.476 . . . . 1.8500000000000001 110.793 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -44.38 65.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.65 . . . . 1.72 109.484 178.327 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.8 -32.59 58.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.075 -0.966 . . . . 0.89000000000000001 110.256 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.39 -35.62 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 1.6599999999999999 110.679 174.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 31.8 m -77.61 -19.07 56.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.297 -0.411 . . . . 0.81999999999999995 111.507 -177.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -52.97 3.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.966 0.412 . . . . 3.46 111.196 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.23 -173.41 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 1.8600000000000001 110.111 -176.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -107.63 146.31 32.15 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.925 -0.769 . . . . 3.1200000000000001 108.925 172.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.821 ' HA ' ' HB2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -154.46 151.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.749 -0.463 . . . . 1.0600000000000001 109.749 -179.638 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.64 -49.56 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.948 0.404 . . . . 1.6399999999999999 110.586 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 7.1 mm -128.17 139.77 50.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.286 -0.416 . . . . 1.03 110.726 -178.245 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.2 126.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.444 -0.344 . . . . 0.67000000000000004 110.666 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -126.62 122.61 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.984 -0.376 . . . . 0.87 109.984 174.781 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.747 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -117.75 106.72 13.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.72999999999999998 111.183 -178.159 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -83.41 106.91 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 1.3400000000000001 109.66 176.394 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 876' ' ' VAL . . . . . 0.584 HG12 ' HB3' ' A' ' 832' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 112.064 0.394 . . . . 1.29 112.064 -172.636 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.909 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 6.6 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.433 0.635 . . . . 2.8399999999999999 111.525 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.671 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.48 -26.71 63.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.772 . . . . 3.3599999999999999 111.141 -166.166 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.603 ' CB ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -69.63 -28.65 66.09 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.988 0.899 . . . . 2.3399999999999999 108.851 -172.461 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.7 m -81.0 -27.08 36.0 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.223 -1.353 . . . . 1.28 109.869 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.9 -44.6 78.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.272 0.558 . . . . 2.1699999999999999 109.632 172.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.444 ' HB3' HD22 ' A' ' 861' ' ' LEU . 1.3 mmt180 -64.67 -38.68 91.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 2.3599999999999999 110.814 176.349 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 899' ' ' VAL . 12.2 mt -62.67 -46.36 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.565 . . . . 1.71 111.573 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.713 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.0 OUTLIER -72.64 -25.79 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.678 0.275 . . . . 2.2400000000000002 110.911 -178.128 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -42.43 95.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.189 -0.671 . . . . 2.6200000000000001 109.189 173.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 893' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 893' ' ' LEU . 0.2 OUTLIER -70.66 -40.03 73.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.717 . . . . 1.9099999999999999 110.268 177.119 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.53 44.25 4.04 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.914 -0.66 . . . . 1.1200000000000001 112.19 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 890' ' ' ILE . 4.4 mp -55.35 129.86 40.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.8900000000000001 111.045 178.647 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -93.99 18.78 10.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.731 -0.668 . . . . 2.4900000000000002 110.927 -176.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.51 149.08 60.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.364 -0.38 . . . . 1.3999999999999999 110.333 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.65 129.1 23.94 Favored 'Trans proline' 0 C--O 1.241 0.642 0 C-N-CA 122.987 2.458 . . . . 0.72999999999999998 112.932 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.843 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 11.0 t -109.3 122.32 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.657 -0.702 . . . . 0.64000000000000001 109.911 177.181 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.523 HG12 ' HB2' ' A' ' 921' ' ' SER . 23.1 mt -113.11 110.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 116.013 -0.54 . . . . 0.64000000000000001 110.198 179.726 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.25 116.82 4.78 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.901 -0.666 . . . . 0.47999999999999998 112.449 -177.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.801 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.9 t -87.98 96.84 6.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.842 -0.799 . . . . 1.04 108.842 175.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.471 HG22 HG23 ' A' ' 876' ' ' VAL . 36.6 p -126.75 137.27 53.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.464 -0.335 . . . . 0.89000000000000001 110.523 -173.613 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.617 ' HB2' ' H ' ' A' ' 925' ' ' LYS . . . -142.61 107.83 4.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.78 -0.368 . . . . 1.1899999999999999 111.784 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 84.83 45.19 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.381 1.05 . . . . 2.7000000000000002 111.13 176.103 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.839 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -100.83 15.27 28.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 2.8100000000000001 111.071 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.87 86.2 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.686 0.616 . . . . 3.9300000000000002 111.215 176.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.23 65.67 0.86 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.722 -0.672 . . . . 2.0899999999999999 110.556 -178.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.839 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 33.9 mp0 -63.82 -27.43 69.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.347 -0.842 . . . . 3.3100000000000001 110.813 -179.115 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 0.1 OUTLIER -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 3.5800000000000001 110.104 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 -39.07 64.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 2.29 110.734 179.06 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.909 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -70.67 -27.54 64.11 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.349 -0.54 . . . . 2.6499999999999999 109.742 178.104 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.737 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -59.74 -43.38 94.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.748 -0.66 . . . . 4.0499999999999998 110.347 173.841 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.25 -26.27 67.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.6499999999999999 110.473 174.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.4 mp -71.67 -52.41 18.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.295 0.48 . . . . 1.8799999999999999 112.295 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.737 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -77.11 -47.73 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 120.09 -0.644 . . . . 3.4700000000000002 110.608 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 917' ' ' SER . . . . . 0.631 ' HA ' ' NH2' ' A' ' 913' ' ' ARG . 10.4 m 49.07 51.34 16.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.963 1.098 . . . . 1.3500000000000001 113.963 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.713 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -139.22 12.22 3.29 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.195 -1.002 . . . . 1.02 112.084 171.802 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.843 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 mtm -87.81 -108.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.465 -0.368 . . . . 2.0099999999999998 110.843 -172.339 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.8 t70 159.47 -56.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.464 1.106 . . . . 1.26 109.155 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.523 ' HB2' HG12 ' A' ' 900' ' ' ILE . 50.7 m -135.47 163.97 28.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 1.26 110.299 -178.042 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 138.93 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 1.1299999999999999 110.614 -178.184 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 902' ' ' VAL . 0.1 OUTLIER -127.87 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.407 . . . . 0.68999999999999995 109.952 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.551 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.8 OUTLIER -106.45 157.77 17.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.677 -0.238 . . . . 0.89000000000000001 110.405 179.335 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.617 ' H ' ' HB2' ' A' ' 904' ' ' ALA . 0.1 OUTLIER -50.12 -40.97 61.59 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.63 0.974 . . . . 1.1100000000000001 113.63 -177.463 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 20.7 Cg_exo -68.36 60.1 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.186 1.924 . . . . 1.01 113.308 175.152 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.1 98.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.037 0.446 . . . . 1.3600000000000001 110.283 175.191 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.27 -178.08 6.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.96 -0.564 . . . . 0.92000000000000004 111.424 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 933' ' ' LYS . 0.7 OUTLIER -57.2 -46.18 83.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.171 -0.468 . . . . 0.92000000000000004 111.162 -178.927 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -36.47 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.597 -0.274 . . . . 1.8500000000000001 111.076 -177.438 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.29 -47.09 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.091 -0.337 . . . . 0.93000000000000005 110.091 178.096 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.81 -30.46 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.79 0.328 . . . . 1.1799999999999999 110.48 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.09 -48.47 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 1.8999999999999999 111.698 -177.608 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.9 OUTLIER -67.98 -40.68 83.09 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.608 -0.437 . . . . 2.25 110.643 -178.674 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.9 m -60.68 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.825 0.345 . . . . 0.62 110.901 177.065 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -63.22 -55.85 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.85999999999999999 111.331 -178.836 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 43.4 m -60.01 -44.13 94.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.87 112.094 -174.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -70.59 -37.1 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 1.4199999999999999 111.734 -176.094 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.468 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 0.6 OUTLIER -83.16 -30.51 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.494 -0.482 . . . . 1.5900000000000001 111.611 -177.059 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.66 88.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.743 0.306 . . . . 0.60999999999999999 110.212 176.432 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.98 -32.58 59.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 1.8700000000000001 110.114 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -62.07 -48.84 78.41 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.376 -0.374 . . . . 3.1099999999999999 110.292 179.43 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.7 m -71.59 -30.56 39.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.899 0.38 . . . . 0.75 110.408 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.84 77.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 3.5800000000000001 111.095 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -26.64 36.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.862 0.319 . . . . 2.7799999999999998 111.862 -177.12 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 25.2 m -76.37 -50.95 12.89 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.711 -0.396 . . . . 1.3400000000000001 111.267 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 3.5299999999999998 111.2 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 825' ' ' MET . . . . . 0.541 ' HB3' ' HD2' ' A' ' 849' ' ' TYR . 13.4 ttm . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.282 0.563 . . . . 1.8999999999999999 110.064 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.585 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 49.2 ttm -86.51 111.12 20.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.9299999999999999 110.862 -178.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.663 HG23 ' HB ' ' A' ' 871' ' ' ILE . 0.2 OUTLIER -106.9 142.96 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.816 -0.629 . . . . 0.46999999999999997 109.717 177.907 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.558 HD21 HG11 ' A' ' 863' ' ' VAL . 3.4 mt -94.93 106.57 18.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.591 -0.277 . . . . 1.3700000000000001 111.144 -178.354 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 840' ' ' LEU . 3.0 m -91.17 95.43 5.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.678 0.751 . . . . 1.0600000000000001 109.617 175.398 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.694 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 16.6 t -114.06 136.47 50.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.71 -0.677 . . . . 1.0700000000000001 110.856 -175.834 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.606 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 2.7 t70 -158.65 131.04 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.884 -0.784 . . . . 1.3 108.884 169.232 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -15.75 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.632 0.605 . . . . 2.0299999999999998 112.632 -171.249 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -123.99 92.96 47.76 Favored Pre-proline 0 C--N 1.328 -0.351 0 O-C-N 121.9 -0.5 . . . . 2.1200000000000001 110.811 178.75 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 33.0 Cg_exo -21.01 -37.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.991 1 C-N-CA 127.562 5.508 . . . . 1.1200000000000001 118.971 -168.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -56.3 -46.54 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 119.0 0.818 . . . . 2.2599999999999998 112.375 -175.237 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -78.5 -29.5 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.855 -0.528 . . . . 1.8300000000000001 109.882 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 1.7 ttp180 -58.07 -50.16 74.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 2.7799999999999998 111.418 175.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.458 -0.337 . . . . 2.75 110.409 -179.777 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.81 78.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 1.1399999999999999 110.357 176.758 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 829' ' ' VAL . 49.5 tp -66.76 -41.41 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.728 -0.669 . . . . 1.4299999999999999 110.698 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.06 74.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.59999999999999998 110.84 178.224 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.68 -44.52 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.3400000000000001 110.421 177.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.9 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.9 mp0 -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 1.8500000000000001 110.649 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' ' 827' ' ' ILE . 27.8 tp -65.8 -33.92 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.976 0.417 . . . . 1.24 110.608 177.337 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.55 72.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.08 -0.581 . . . . 0.52000000000000002 111.963 176.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.6 m -82.26 -22.04 35.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.085 0.469 . . . . 0.69999999999999996 110.094 175.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 -33.97 60.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.683 -0.69 . . . . 1.5600000000000001 109.864 175.054 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 97.02 29.75 7.86 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.512 -0.767 . . . . 0.62 112.178 177.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 849' ' ' TYR . . . . . 0.541 ' HD2' ' HB3' ' A' ' 825' ' ' MET . 57.3 m-85 -116.5 156.48 26.83 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.37 -0.132 . . . . 1.22 110.673 -178.748 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.585 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 58.4 mt-30 -64.91 120.89 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 2.3799999999999999 110.561 -177.001 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 100.45 9.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.043 0.449 . . . . 0.93999999999999995 110.894 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 826' ' ' MET . 0.1 OUTLIER -87.9 113.33 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.403 -0.591 . . . . 1.4399999999999999 109.403 176.916 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.64 128.02 36.48 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.615 0.598 . . . . 0.62 112.615 -170.168 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.461 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -143.19 168.63 19.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.34 -0.846 . . . . 0.46999999999999997 108.909 174.523 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -141.45 72.73 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.042 -0.663 . . . . 1.8999999999999999 112.373 -178.638 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 5.6 t70 163.76 157.88 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.932 0.893 . . . . 1.45 109.389 174.788 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 1.03 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -71.25 -39.61 62.04 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.545 -0.836 . . . . 0.57999999999999996 111.243 177.349 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.479 HG22 ' OD1' ' A' ' 856' ' ' ASP . 35.2 m -72.84 -30.27 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.94999999999999996 110.148 177.713 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 14.0 t0 -60.2 -42.82 95.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.82 -0.627 . . . . 0.83999999999999997 110.43 177.667 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -65.83 -38.96 90.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.51000000000000001 111.252 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -69.63 -32.91 71.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.904 0.383 . . . . 1.8500000000000001 110.423 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -42.19 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 1.72 111.073 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.558 HG11 HD21 ' A' ' 828' ' ' LEU . 10.2 p -72.71 -31.27 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.52 -0.309 . . . . 0.89000000000000001 110.233 178.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -56.97 -45.12 83.13 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.169 -0.469 . . . . 1.6599999999999999 110.727 175.649 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -33.02 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.81999999999999995 111.389 -177.231 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -36.72 42.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.449 -0.341 . . . . 3.46 111.637 -176.763 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -111.5 -124.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.192 -0.299 . . . . 1.8600000000000001 110.192 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -142.19 -73.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.604 -0.517 . . . . 3.1200000000000001 109.604 178.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.519 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.5 mp 66.8 144.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.64 0.588 . . . . 1.0600000000000001 111.003 -177.366 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.37 -49.62 3.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.043 -0.411 . . . . 1.6399999999999999 111.038 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.663 ' HB ' HG23 ' A' ' 827' ' ' ILE . 4.8 mt -125.28 137.14 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.524 -0.307 . . . . 1.03 110.288 179.495 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.417 HG22 HD12 ' A' ' 828' ' ' LEU . 46.6 t -114.61 131.09 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.775 -0.193 . . . . 0.67000000000000004 111.437 -177.402 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.24 99.2 6.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.16 -0.681 . . . . 0.87 109.16 171.515 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.694 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.8 p -104.1 106.22 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.728 0.299 . . . . 0.72999999999999998 110.896 -176.38 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 49.5 t0 -99.72 138.97 36.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 1.3400000000000001 110.572 178.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.363 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.726 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.9 p90 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.494 0.664 . . . . 2.8399999999999999 110.925 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.628 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -59.39 -26.84 65.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.68 0.752 . . . . 3.3599999999999999 111.803 -164.233 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 1.03 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -79.26 -24.57 42.9 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.613 -0.884 . . . . 2.3399999999999999 108.613 -171.352 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 890' ' ' ILE . 17.3 m -73.48 -28.82 62.14 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.065 -1.425 . . . . 1.28 109.268 175.358 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 3.2 tp-100 -59.84 -41.96 92.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.412 -0.813 . . . . 2.1699999999999999 109.093 173.429 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.473 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -61.26 -36.43 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.499 -0.773 . . . . 2.3599999999999999 110.653 174.734 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 887' ' ' THR . 88.1 mt -65.25 -37.97 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.324 -0.398 . . . . 1.71 110.978 176.783 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.447 ' NH2' HE22 ' A' ' 888' ' ' GLN . 0.0 OUTLIER -64.19 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 2.2400000000000002 110.686 178.501 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -80.42 -29.99 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.773 -0.649 . . . . 2.6200000000000001 110.241 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -46.53 74.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.609 -0.723 . . . . 1.9099999999999999 109.972 176.346 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 124.6 78.14 0.34 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.962 -0.637 . . . . 1.1200000000000001 111.758 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.786 HD22 ' HA2' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -78.91 136.12 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.258 0.552 . . . . 2.8900000000000001 111.03 -178.949 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 896' ' ' THR . . . . . 0.49 ' H ' HD23 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -147.92 29.04 0.91 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.547 -0.752 . . . . 2.4900000000000002 109.25 172.78 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 896' ' ' THR . 0.7 OUTLIER -145.27 153.79 52.87 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.836 -1.074 . . . . 1.3999999999999999 109.502 -176.589 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 14.6 Cg_exo -69.42 117.34 5.0 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.833 2.355 . . . . 0.72999999999999998 112.676 -178.361 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.853 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -111.16 122.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.389 0.614 . . . . 0.64000000000000001 110.562 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.621 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -108.46 111.45 36.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.856 -0.611 . . . . 0.64000000000000001 109.771 177.201 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.44 108.59 3.69 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.698 -0.763 . . . . 0.47999999999999998 112.702 -175.514 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 2.9 t -80.46 120.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.761 -0.829 . . . . 1.04 108.761 174.558 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.7 p -136.48 151.87 49.93 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.29 -0.564 . . . . 0.89000000000000001 111.951 -172.332 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -79.34 165.07 23.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 1.1899999999999999 109.407 171.373 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.85 -74.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.522 0.514 . . . . 2.7000000000000002 110.295 -177.067 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 54.59 43.88 29.55 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.991 0.516 . . . . 2.8100000000000001 112.066 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 2.0 mp -98.29 -41.18 7.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.443 . . . . 3.9300000000000002 110.142 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -111.47 47.16 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.656 . . . . 2.0899999999999999 110.204 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -69.33 -39.06 78.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 3.3100000000000001 110.814 -177.054 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.23 -42.15 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.054 0.454 . . . . 3.5800000000000001 109.882 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -42.16 89.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.556 -0.747 . . . . 2.29 110.971 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.726 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 32.8 mt-30 -72.58 -35.31 67.89 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.299 -0.56 . . . . 2.6499999999999999 111.07 -177.05 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.769 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 2.1 ttp-105 -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.367 . . . . 4.0499999999999998 110.93 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 28.4 m -74.75 -28.01 60.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.138 0.494 . . . . 1.6499999999999999 109.81 174.105 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -72.2 -52.88 14.47 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.665 -0.698 . . . . 1.8799999999999999 112.329 -178.605 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.769 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -78.65 -37.7 41.35 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.006 -0.678 . . . . 3.4700000000000002 110.467 -178.025 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 47.74 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.901 0.75 . . . . 1.3500000000000001 112.373 177.752 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 918' ' ' GLY . . . . . 0.786 ' HA2' HD22 ' A' ' 895' ' ' LEU . . . -144.7 11.91 1.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.106 -1.045 . . . . 1.02 112.635 176.745 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.853 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -100.22 -116.21 0.16 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.081 0.467 . . . . 2.0099999999999998 111.652 -173.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.9 t70 172.49 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.14 -1.43 . . . . 1.26 107.14 -178.049 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 5.5 m -148.66 159.77 43.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.111 -0.949 . . . . 1.26 109.854 176.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 62.4 m -114.73 150.59 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.664 0.269 . . . . 1.1299999999999999 110.603 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 902' ' ' VAL . 5.9 mt -131.37 167.72 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.856 -0.424 . . . . 0.68999999999999995 109.856 178.213 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.99 143.81 25.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.437 -0.347 . . . . 0.89000000000000001 110.309 178.558 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.551 ' HA ' HG12 ' A' ' 902' ' ' VAL . 2.4 tttp -48.54 -50.16 60.33 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 113.437 0.903 . . . . 1.1100000000000001 113.437 -178.455 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.0 Cg_exo -75.34 58.6 5.16 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.339 2.026 . . . . 1.01 113.313 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.02 146.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 1.3600000000000001 110.603 175.414 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.18 179.85 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 0.92000000000000004 111.263 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.9 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -62.56 -47.98 81.47 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.686 0.279 . . . . 0.92000000000000004 111.714 -172.462 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.23 -41.95 63.16 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.846 -0.342 . . . . 1.8500000000000001 110.429 -175.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.14 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.939 -0.573 . . . . 0.93000000000000005 110.539 177.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.664 HG23 HD23 ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.82 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 1.1799999999999999 110.146 176.754 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -48.21 76.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 1.8999999999999999 111.846 -178.203 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -60.55 -48.83 80.04 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.952 0.406 . . . . 2.25 110.556 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 4.1 m -63.05 -45.52 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.62 111.749 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.664 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.41 -46.19 80.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.717 -0.22 . . . . 0.85999999999999999 111.134 -178.418 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 48.2 m -62.97 -42.04 99.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.408 -0.36 . . . . 0.87 111.041 -178.491 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 1.4199999999999999 111.263 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 942' ' ' ARG . 7.9 m-85 -78.31 -34.11 48.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 1.5900000000000001 111.063 -178.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -62.72 -42.92 99.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.60999999999999999 110.513 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.64 -24.55 58.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.441 -0.345 . . . . 1.8700000000000001 110.373 177.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -67.06 -47.97 69.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 3.1099999999999999 110.241 177.555 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.25 -30.81 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.75 110.226 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -63.94 -46.9 82.65 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.142 -0.481 . . . . 3.5800000000000001 110.688 177.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -72.33 -24.74 61.35 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.135 -0.226 . . . . 2.7799999999999998 111.303 -179.121 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.7 m -81.51 -23.69 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 1.3400000000000001 111.512 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 3.5299999999999998 111.088 -178.605 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.054 -0.721 . . . . 1.8999999999999999 109.054 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.913 ' HG2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.14 114.34 26.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.166 0.508 . . . . 1.9299999999999999 111.189 -172.798 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.4 mm -112.41 131.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.032 -0.531 . . . . 0.46999999999999997 110.53 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.622 HD13 HG11 ' A' ' 863' ' ' VAL . 11.3 tp -102.17 118.42 36.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.986 -0.552 . . . . 1.3700000000000001 110.117 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -112.51 116.99 54.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 1.0600000000000001 110.233 -176.847 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.93 HG12 ' HB3' ' A' ' 854' ' ' ALA . 7.5 m -123.08 140.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.836 -0.346 . . . . 1.0700000000000001 110.643 176.54 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.574 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 7.8 t70 -143.99 131.76 21.37 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 1.3 108.885 169.459 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -74.88 21.06 0.12 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.47 0.652 . . . . 2.0299999999999998 111.834 -178.536 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.661 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 6.9 m80 -140.9 161.86 51.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.411 -0.959 . . . . 2.1200000000000001 108.411 179.133 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.87 -27.91 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.176 1.918 . . . . 1.1200000000000001 112.733 177.131 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.7 OUTLIER -71.1 -48.87 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.127 0.417 . . . . 2.2599999999999998 112.127 -173.631 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -26.37 29.34 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.415 -0.514 . . . . 1.8300000000000001 110.215 -177.068 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -53.73 -47.72 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.3 0.571 . . . . 2.7799999999999998 109.754 171.574 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.554 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.86 -49.97 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.215 -0.902 . . . . 2.75 110.692 178.105 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.554 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -69.89 -40.56 75.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.92 -0.582 . . . . 1.1399999999999999 112.263 -169.507 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.474 HD23 HG23 ' A' ' 829' ' ' VAL . 27.4 tp -71.16 -36.21 71.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.994 -0.548 . . . . 1.4299999999999999 110.254 -179.36 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.59999999999999998 110.155 174.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.7 -56.21 24.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.449 -0.796 . . . . 1.3400000000000001 110.009 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.829 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.88 -38.03 89.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 1.8500000000000001 111.298 -178.924 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 827' ' ' ILE . 36.9 tp -65.39 -33.94 77.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 1.24 110.43 177.119 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.56 -38.46 94.73 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.903 -0.665 . . . . 0.52000000000000002 111.701 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.2 m -69.33 -29.42 67.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.69999999999999996 110.732 177.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.2 OUTLIER -63.48 -30.67 71.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.276 0.56 . . . . 1.5600000000000001 110.424 177.513 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.27 32.02 15.13 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.62 112.337 177.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -113.83 164.9 13.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.219 -0.289 . . . . 1.22 110.219 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 118.09 10.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.501 -0.318 . . . . 2.3799999999999999 110.231 178.816 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.56 118.49 36.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.76 0.314 . . . . 0.93999999999999995 111.375 -176.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 110.9 16.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.2 -0.667 . . . . 1.4399999999999999 109.2 174.312 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 829' ' ' VAL . 0.2 OUTLIER -96.52 142.12 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.514 0.673 . . . . 0.62 112.734 -172.619 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.93 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -149.99 -168.3 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.875 -1.057 . . . . 0.46999999999999997 108.563 174.764 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 18.1 p-10 -157.06 73.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.15 -0.62 . . . . 1.8999999999999999 111.164 -176.058 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 1.011 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 11.6 t0 163.43 148.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.078 -0.965 . . . . 1.45 109.019 177.488 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.442 ' HA3' HD23 ' A' ' 886' ' ' LEU . . . -73.24 -38.36 54.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.626 -0.797 . . . . 0.57999999999999996 111.783 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.97 -31.69 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.182 -0.303 . . . . 0.94999999999999996 110.182 177.761 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 1.011 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.2 OUTLIER -67.17 -27.64 67.46 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.83999999999999997 110.181 175.748 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.498 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -62.0 -52.57 63.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.705 -0.68 . . . . 0.51000000000000001 110.665 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 890' ' ' ILE . 1.2 pp -72.73 -28.05 62.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 1.8500000000000001 110.691 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.16 -44.46 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.72 109.767 173.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -64.75 -32.76 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.539 -0.755 . . . . 0.89000000000000001 110.322 177.857 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.6599999999999999 110.582 176.461 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 1.3 m -80.92 -19.15 44.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.157 0.503 . . . . 0.81999999999999995 110.654 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -77.88 -48.38 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 3.46 110.495 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 867' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 868' ' ' HIS . 22.5 t30 -128.97 -104.84 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 1.8600000000000001 110.127 -179.668 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 868' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 867' ' ' ASN . 1.5 t-80 -178.14 144.9 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.261 -0.644 . . . . 3.1200000000000001 109.261 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.913 HG13 ' HG2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -150.84 148.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.362 -0.607 . . . . 1.0600000000000001 109.362 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.26 -46.37 8.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.6399999999999999 111.055 -175.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 827' ' ' ILE . 11.8 mm -120.56 125.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.486 -179.133 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.612 HG23 HD11 ' A' ' 897' ' ' LEU . 75.8 t -108.36 132.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.796 -0.184 . . . . 0.67000000000000004 110.983 -178.543 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -127.23 113.84 16.86 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.093 -0.336 . . . . 0.87 110.093 174.5 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -107.6 101.67 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.72999999999999998 111.301 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.787 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 39.2 t0 -81.62 108.72 15.41 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.498 0.666 . . . . 1.3400000000000001 110.682 178.476 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.028 -0.987 . . . . 1.29 111.233 -175.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.66 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 25.1 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.902 0.858 . . . . 2.8399999999999999 110.204 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.23 -24.64 28.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.16 0.981 . . . . 3.3599999999999999 110.09 -174.478 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -62.66 -35.68 80.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.682 -1.145 . . . . 2.3399999999999999 108.598 -175.768 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 890' ' ' ILE . 54.2 m -76.23 -27.02 56.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.469 -1.696 . . . . 1.28 109.502 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 23.7 tp60 -58.92 -36.37 74.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 2.1699999999999999 109.542 174.493 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.477 ' HD2' ' O ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -66.94 -38.8 86.81 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.396 -0.365 . . . . 2.3599999999999999 110.099 174.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.825 HG23 ' HB2' ' A' ' 895' ' ' LEU . 8.9 mt -55.22 -48.47 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.211 -0.449 . . . . 1.71 110.703 175.223 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -65.44 -38.89 91.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 2.2400000000000002 110.446 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -42.57 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 2.6200000000000001 110.785 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.5 -47.71 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.9099999999999999 110.092 177.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.52 24.09 2.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.478 -0.867 . . . . 1.1200000000000001 112.559 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.825 ' HB2' HG23 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -83.69 120.87 26.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 2.8900000000000001 109.875 178.534 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.9 t -115.57 9.72 15.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.353 0.597 . . . . 2.4900000000000002 110.937 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 872' ' ' VAL . 0.4 OUTLIER -72.66 159.0 86.44 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.3999999999999999 110.195 179.349 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 897' ' ' LEU . 18.5 Cg_endo -59.76 104.88 0.24 Allowed 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.811 2.341 . . . . 0.72999999999999998 113.038 -177.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.825 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 43.1 t -105.16 115.69 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.993 -0.549 . . . . 0.64000000000000001 110.169 175.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 2.0 mt -106.38 110.35 31.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.995 -0.548 . . . . 0.64000000000000001 109.826 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -88.45 122.33 6.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.608 -0.806 . . . . 0.47999999999999998 112.259 -177.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.787 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 3.0 t -82.6 94.04 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 174.863 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 16.8 p -101.91 124.47 47.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.001 -0.545 . . . . 0.89000000000000001 111.748 -171.02 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.827 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -103.9 105.35 15.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 1.1899999999999999 110.067 174.176 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 56.91 70.03 0.69 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.857 0.723 . . . . 2.7000000000000002 111.563 -178.494 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -104.49 27.95 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 2.8100000000000001 110.072 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.457 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.1 OUTLIER 57.63 -110.8 0.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 3.9300000000000002 110.342 -175.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -101.91 92.67 4.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.744 -0.465 . . . . 2.0899999999999999 109.744 175.582 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.2 -38.55 83.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 3.3100000000000001 111.816 -174.288 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -36.24 74.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 3.5800000000000001 110.902 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -71.57 -39.56 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.337 -0.392 . . . . 2.29 110.442 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.66 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.6 mp0 -69.88 -29.61 66.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.585 -0.524 . . . . 2.6499999999999999 109.585 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.511 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 11.4 mtm-85 -68.33 -26.37 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 4.0499999999999998 110.548 176.01 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -72.99 -29.09 62.78 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.647 -0.501 . . . . 1.6499999999999999 109.647 172.243 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 912' ' ' GLN . 41.6 mt -73.13 -54.28 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.8799999999999999 112.18 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.31 -43.9 22.68 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 3.4700000000000002 111.321 -178.107 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 40.0 m 51.14 51.96 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.604 0.964 . . . . 1.3500000000000001 113.604 175.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -146.11 11.82 1.62 Allowed Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.301 -0.952 . . . . 1.02 111.889 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.825 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.2 OUTLIER -91.83 -117.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.036 0.446 . . . . 2.0099999999999998 111.471 -173.51 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.494 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.1 t70 172.61 -57.92 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.482 -0.781 . . . . 1.26 109.056 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 900' ' ' ILE . 43.1 m -148.65 156.54 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.213 -0.903 . . . . 1.26 110.251 -177.469 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.443 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 98.4 m -125.73 134.39 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.837 0.351 . . . . 1.1299999999999999 110.696 178.75 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.33 -178.26 3.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.546 . . . . 0.68999999999999995 109.549 177.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 6.7 m -106.14 155.24 19.64 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.061 -0.348 . . . . 0.89000000000000001 110.061 176.022 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.827 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 19.0 tttp -53.03 -47.88 94.01 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.078 0.77 . . . . 1.1100000000000001 113.078 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 60.0 Cg_endo -72.6 66.13 3.8 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.0 1.8 . . . . 1.01 113.012 177.158 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.04 116.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.198 0.523 . . . . 1.3600000000000001 110.319 176.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.06 166.12 17.97 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.836 -0.62 . . . . 0.92000000000000004 110.531 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.829 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -58.68 -37.75 76.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.97 0.415 . . . . 0.92000000000000004 110.071 177.324 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.71 -56.96 15.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.593 -0.731 . . . . 1.8500000000000001 110.292 -178.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 46.5 t -60.9 -46.19 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.475 -0.784 . . . . 0.93000000000000005 110.956 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.643 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 5.4 mt -57.73 -43.62 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 1.1799999999999999 111.095 -178.148 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -48.25 70.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.793 0.294 . . . . 1.8999999999999999 111.793 -176.316 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 934' ' ' GLN . . . . . 0.425 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.7 OUTLIER -66.49 -41.97 88.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 2.25 111.202 -176.245 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.9 m -72.89 -41.99 64.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.599 0.222 . . . . 0.62 111.599 -178.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -67.07 -49.04 66.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.471 0.177 . . . . 0.85999999999999999 110.799 -176.833 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 6.6 m -65.55 -36.45 83.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.508 -0.314 . . . . 0.87 111.038 -178.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.57 -41.79 98.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.804 0.335 . . . . 1.4199999999999999 110.793 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 943' ' ' VAL . 13.1 m-30 -82.93 -28.63 29.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.441 -0.345 . . . . 1.5900000000000001 111.265 -177.334 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.03 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.526 -0.546 . . . . 0.60999999999999999 109.526 174.623 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.98 76.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.8700000000000001 109.421 174.09 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -59.49 -47.59 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 3.1099999999999999 110.916 -178.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 939' ' ' TYR . 2.5 m -74.85 -33.63 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.859 -0.337 . . . . 0.75 110.747 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.93 98.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 3.5800000000000001 110.811 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -18.76 37.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.633 0.254 . . . . 2.7799999999999998 110.985 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 31.2 m -65.72 -33.38 75.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.138 0.494 . . . . 1.3400000000000001 109.85 175.107 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 3.5299999999999998 109.855 172.761 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 121.102 0.477 . . . . 1.8999999999999999 110.306 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.419 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.8 OUTLIER -83.54 121.54 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 1.9299999999999999 110.659 179.232 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.785 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.5 mm -118.57 143.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.46999999999999997 109.947 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.573 HD11 HG13 ' A' ' 863' ' ' VAL . 0.8 OUTLIER -99.51 103.8 15.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.381 -0.372 . . . . 1.3700000000000001 110.76 -178.756 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.582 HG13 HD22 ' A' ' 844' ' ' LEU . 1.1 m -88.54 95.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.711 0.767 . . . . 1.0600000000000001 109.648 175.193 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.0 t -106.75 131.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.38 -0.827 . . . . 1.0700000000000001 109.857 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 0.8 OUTLIER -157.07 135.32 11.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.033 -0.358 . . . . 1.3 110.033 171.883 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -4.3 58.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.114 -0.494 . . . . 2.0299999999999998 112.197 -174.126 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 833' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 1.9 t-160 -118.86 85.28 27.92 Favored Pre-proline 0 N--CA 1.465 0.29 0 O-C-N 122.042 -0.412 . . . . 2.1200000000000001 110.791 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 834' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 10.3 Cg_exo -22.43 -49.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 126.506 4.804 . . . . 1.1200000000000001 117.561 -168.091 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -36.67 48.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 118.242 0.474 . . . . 2.2599999999999998 111.74 -177.331 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -44.44 61.02 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.747 -0.464 . . . . 1.8300000000000001 109.747 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.509 ' HD3' HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -53.97 -40.84 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.006 0.522 . . . . 2.7799999999999998 110.908 175.489 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 838' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.82 -51.35 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 2.75 110.485 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 839' ' ' LEU . . . . . 0.502 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -78.09 -25.45 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.852 -0.613 . . . . 1.1399999999999999 111.072 -173.769 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' A' ' 829' ' ' VAL . 23.0 tp -71.69 -43.44 65.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.563 -0.744 . . . . 1.4299999999999999 109.951 178.19 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.56 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.872 -0.603 . . . . 0.59999999999999998 110.114 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.83 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 1.3400000000000001 109.772 175.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.689 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.78 -47.95 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 1.8500000000000001 110.858 178.129 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.785 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.1 tp -61.78 -37.55 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 1.24 111.229 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -27.01 72.43 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.009 -0.615 . . . . 0.52000000000000002 112.02 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.7 m -77.02 -25.08 52.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.69999999999999996 110.158 176.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 844' ' ' LEU . 4.0 mt -77.81 -24.36 48.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.5600000000000001 110.373 176.758 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 88.37 21.14 45.86 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.828 -0.701 . . . . 0.62 112.759 177.42 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 849' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' A' ' 847' ' ' LEU . 18.7 m-85 -105.41 171.11 7.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.764 0.316 . . . . 1.22 110.437 179.245 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.63 118.66 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 2.3799999999999999 110.748 -178.155 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 851' ' ' CYS . . . . . 0.595 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.51 99.81 11.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.4 . . . . 0.93999999999999995 111.211 -179.45 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -89.02 122.33 32.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.307 -0.627 . . . . 1.4399999999999999 109.307 175.713 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.509 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.45 137.72 32.13 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 0.62 112.567 -171.217 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.51 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -155.67 168.3 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.178 -0.675 . . . . 0.46999999999999997 109.178 173.714 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 8.1 p-10 -151.46 73.18 1.07 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.025 -0.67 . . . . 1.8999999999999999 112.782 -177.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 31.3 t70 163.73 157.73 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.663 0.785 . . . . 1.45 109.518 173.578 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.45 -50.07 57.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.86 . . . . 0.57999999999999996 111.944 178.637 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.641 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -74.0 -28.5 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.94999999999999996 110.763 179.377 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.765 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 27.6 t0 -57.08 -34.41 68.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.352 -0.386 . . . . 0.83999999999999997 110.527 176.358 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.604 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.73 -33.63 70.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.51000000000000001 110.699 177.284 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 861' ' ' LEU . . . . . 0.641 HD13 ' HA ' ' A' ' 858' ' ' VAL . 7.4 mp -71.07 -41.08 71.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 1.8500000000000001 110.246 178.426 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -51.93 67.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.484 -0.78 . . . . 1.72 110.557 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.573 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.38 -32.34 52.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.389 -0.369 . . . . 0.89000000000000001 110.934 -179.503 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -64.03 -38.02 89.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.16 0.505 . . . . 1.6599999999999999 111.079 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.1 m -72.6 -30.51 64.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.81999999999999995 110.856 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -38.84 47.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 3.46 110.924 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -145.29 130.44 18.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.623 -0.51 . . . . 1.8600000000000001 109.623 178.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 84.1 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.121 0.486 . . . . 3.1200000000000001 111.702 -174.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.493 HD13 ' HG ' ' A' ' 828' ' ' LEU . 2.8 mp -68.64 147.6 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.153 -0.93 . . . . 1.0600000000000001 109.871 171.351 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 870' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 5.4 t0 -84.86 -52.81 5.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.974 0.416 . . . . 1.6399999999999999 111.796 -174.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.9 mm -108.49 121.49 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.592 -0.276 . . . . 1.03 110.425 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 828' ' ' LEU . 13.2 t -110.13 132.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.887 -0.325 . . . . 0.67000000000000004 110.862 -178.734 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -130.33 111.16 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.79 -0.448 . . . . 0.87 109.79 173.12 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.596 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -102.49 102.66 12.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.72999999999999998 111.201 -176.383 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 50.4 t0 -89.16 120.84 30.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.703 -0.68 . . . . 1.3400000000000001 110.052 176.577 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 1.29 110.857 -176.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.723 ' HB3' ' HG3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 122.668 1.223 . . . . 2.8399999999999999 112.013 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.71 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.46 -26.19 68.61 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.323 -0.853 . . . . 3.3599999999999999 112.95 -158.109 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.506 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -70.12 -31.0 68.33 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.329 1.061 . . . . 2.3399999999999999 108.355 -169.184 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 2.9 m -79.23 -26.83 42.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.815 -1.538 . . . . 1.28 109.182 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 2.9 tm0? -60.79 -45.82 92.9 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.586 -0.734 . . . . 2.1699999999999999 109.808 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.03 83.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.44 -0.8 . . . . 2.3599999999999999 110.371 175.241 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 887' ' ' THR . 71.4 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.881 0.372 . . . . 1.71 111.076 175.163 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 2.2400000000000002 110.67 178.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -61.3 -36.06 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 2.6200000000000001 110.485 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -38.49 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 1.9099999999999999 110.805 177.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 87.71 56.01 2.19 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.853 -0.899 . . . . 1.1200000000000001 110.853 -172.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -44.95 134.99 5.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.276 0.631 . . . . 2.8900000000000001 112.464 -179.838 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.22 22.9 13.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.546 -0.752 . . . . 2.4900000000000002 110.278 176.811 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 864' ' ' LEU . 0.4 OUTLIER -157.93 156.23 27.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 1.3999999999999999 109.937 -175.633 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.753 ' HB2' ' HE2' ' A' ' 939' ' ' TYR . 3.1 Cg_exo -75.92 138.33 20.75 Favored 'Trans proline' 0 C--O 1.244 0.778 0 C-N-CA 122.962 2.441 . . . . 0.72999999999999998 112.813 -177.545 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 41.6 t -116.12 125.77 73.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.794 -0.639 . . . . 0.64000000000000001 111.52 -178.501 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.8 OUTLIER -103.55 108.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.72 . . . . 0.64000000000000001 109.646 175.1 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.96 109.75 3.47 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.409 -0.9 . . . . 0.47999999999999998 112.18 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.612 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.7 OUTLIER -90.33 94.81 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.774 -0.824 . . . . 1.04 108.774 176.048 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 903' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.8 OUTLIER -102.21 138.59 38.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.166 -0.47 . . . . 0.89000000000000001 111.736 -172.214 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -89.68 104.26 16.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 1.1899999999999999 110.539 176.128 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 24.3 t30 55.13 49.39 17.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.375 -0.829 . . . . 2.7000000000000002 112.276 176.033 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -92.29 83.68 5.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 2.8100000000000001 109.777 176.761 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 132.25 27.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.837 -0.62 . . . . 3.9300000000000002 111.096 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 61.83 56.52 2.37 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.815 -0.63 . . . . 2.0899999999999999 110.613 -177.037 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -38.07 76.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.719 -0.673 . . . . 3.3100000000000001 110.657 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 2.4 pm0 -62.15 -30.95 71.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 3.5800000000000001 110.575 179.11 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -77.65 -30.8 52.32 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.474 -0.33 . . . . 2.29 110.761 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.723 ' HG3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -66.82 -40.57 88.09 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.312 -1.366 . . . . 2.6499999999999999 107.312 172.944 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.673 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 5.4 ttp180 -58.25 -30.24 66.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.552 -0.749 . . . . 4.0499999999999998 111.501 178.641 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 59.0 m -68.34 -39.75 81.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 1.6499999999999999 110.233 173.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 915' ' ' LEU . 0.2 OUTLIER -72.97 -54.5 8.46 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.444 0.535 . . . . 1.8799999999999999 112.444 -177.849 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.77 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.89 -46.06 17.49 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.339 -0.144 . . . . 3.4700000000000002 111.387 -175.941 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 36.4 m 51.56 52.18 15.21 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.465 0.913 . . . . 1.3500000000000001 113.465 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -142.96 24.38 2.26 Favored Glycine 0 C--O 1.227 -0.323 0 C-N-CA 120.198 -1.001 . . . . 1.02 112.581 176.495 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.755 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 ttm -107.06 -118.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.528 0.204 . . . . 2.0099999999999998 111.443 -174.125 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 919' ' ' MET . 26.2 t0 166.65 -56.87 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.044 0.938 . . . . 1.26 108.853 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 921' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 900' ' ' ILE . 1.3 m -138.04 157.1 47.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.47 -0.786 . . . . 1.26 110.059 177.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.557 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 39.2 m -127.86 144.32 51.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 1.1299999999999999 110.981 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.594 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -137.01 -175.51 4.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.732 -0.84 . . . . 0.68999999999999995 108.732 176.537 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 924' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 903' ' ' THR . 75.2 m -120.75 160.24 23.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.358 -0.238 . . . . 0.89000000000000001 110.358 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 1.3 tttp -44.94 -47.29 30.1 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.225 0.824 . . . . 1.1100000000000001 113.225 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 926' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 23.4 Cg_exo -66.92 72.44 0.47 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.314 2.009 . . . . 1.01 112.744 175.35 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.75 155.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 1.3600000000000001 110.062 174.278 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.16 171.13 14.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.204 . . . . 0.92000000000000004 110.877 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -57.93 -46.89 84.33 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.56 0.344 . . . . 0.92000000000000004 111.803 -175.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.61 -41.22 79.87 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.886 -0.326 . . . . 1.8500000000000001 110.802 -177.227 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.08 -45.02 99.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.93000000000000005 110.483 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 847' ' ' LEU . 2.2 tt -67.17 -32.1 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.887 -0.597 . . . . 1.1799999999999999 110.527 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 933' ' ' LYS . . . . . 0.535 ' HB3' ' HE2' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -65.95 -41.19 91.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 1.8999999999999999 109.962 177.488 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -60.97 -45.1 96.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 2.25 110.615 179.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -44.95 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.62 110.978 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.718 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.56 -52.28 66.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.85999999999999999 111.138 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 58.0 m -61.61 -43.55 98.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.988 -0.551 . . . . 0.87 111.359 -178.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -45.14 88.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 1.4199999999999999 110.958 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.753 ' HE2' ' HB2' ' A' ' 898' ' ' PRO . 6.1 m-85 -69.76 -53.14 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 1.5900000000000001 111.322 -176.648 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -56.65 -41.92 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.60999999999999999 111.016 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.01 -48.43 76.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.342 -0.39 . . . . 1.8700000000000001 110.853 178.769 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 942' ' ' ARG . 5.5 ptm180 -65.46 -36.48 84.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 3.1099999999999999 111.587 -173.193 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 26.4 m -77.03 -31.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.514 -0.474 . . . . 0.75 110.429 179.028 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -49.77 60.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.213 -0.449 . . . . 3.5800000000000001 110.764 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.09 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 2.7799999999999998 111.443 -175.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -76.02 -51.62 11.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.874 -0.33 . . . . 1.3400000000000001 110.99 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 3.5299999999999998 111.188 -176.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.551 -0.537 . . . . 1.8999999999999999 109.551 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 826' ' ' MET . . . . . 0.562 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -101.93 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 1.9299999999999999 110.562 -178.333 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 827' ' ' ILE . . . . . 0.968 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.6 mm -110.01 141.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.015 -0.993 . . . . 0.46999999999999997 109.747 -179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.418 HD21 HG11 ' A' ' 863' ' ' VAL . 1.1 mt -94.74 111.74 23.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.328 -0.397 . . . . 1.3700000000000001 110.806 -179.119 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -97.98 104.21 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.981 -0.748 . . . . 1.0600000000000001 108.981 175.154 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 830' ' ' VAL . . . . . 0.7 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.7 OUTLIER -119.84 89.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.548 -0.751 . . . . 1.0700000000000001 111.347 -172.127 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 836' ' ' ASN . 9.3 t0 -111.88 134.4 53.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.362 -0.535 . . . . 1.3 110.23 -178.425 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 832' ' ' ASP . . . . . 0.628 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -68.85 -29.81 68.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.536 -0.756 . . . . 2.0299999999999998 111.34 -178.901 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.62 122.77 40.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 2.1200000000000001 110.833 -176.371 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -47.72 -40.88 31.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.819 3.013 . . . . 1.1200000000000001 114.083 -175.22 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -47.06 95.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.646 0.26 . . . . 2.2599999999999998 111.662 -175.185 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 836' ' ' ASN . . . . . 0.676 ' HB2' ' OD2' ' A' ' 831' ' ' ASP . 0.0 OUTLIER -82.51 -22.23 35.16 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.537 -0.465 . . . . 1.8300000000000001 110.191 -178.247 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 837' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 837' ' ' ARG . 32.6 ttm180 -59.12 -52.17 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 2.7799999999999998 110.433 176.194 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -32.94 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 2.75 110.902 -179.213 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -38.81 75.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 1.1399999999999999 111.224 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 840' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 829' ' ' VAL . 25.9 tp -70.94 -37.6 72.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.919 -0.582 . . . . 1.4299999999999999 110.083 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.66 71.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.111 175.293 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.79 -45.43 78.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 1.3400000000000001 109.946 175.606 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 843' ' ' GLN . . . . . 0.507 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.1 OUTLIER -57.49 -47.12 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 1.8500000000000001 110.258 176.133 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.968 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.6 tp -62.15 -41.24 98.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.24 110.926 179.391 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.27 -30.55 78.02 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.52000000000000002 112.089 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 -25.28 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.69999999999999996 110.379 177.268 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 847' ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -73.87 -40.66 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 1.5600000000000001 110.216 175.564 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 107.02 13.67 20.94 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.785 -0.643 . . . . 0.62 112.104 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -105.28 156.02 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.611 0.243 . . . . 1.22 110.51 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 850' ' ' GLN . . . . . 0.562 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -63.96 132.01 49.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.3799999999999999 110.784 -177.658 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 101.94 9.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 0.93999999999999995 110.731 -178.572 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 852' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 869' ' ' ILE . 1.2 mptt -89.86 110.97 21.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.171 -0.678 . . . . 1.4399999999999999 109.171 176.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 853' ' ' THR . . . . . 0.414 ' HA ' HG13 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -89.92 126.83 35.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.038 0.447 . . . . 0.62 111.926 -171.075 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -142.66 177.65 8.17 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.767 -0.651 . . . . 0.46999999999999997 110.332 178.017 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 855' ' ' ASN . . . . . 0.628 ' OD1' ' HA ' ' A' ' 832' ' ' ASP . 4.6 t30 -153.69 74.16 0.99 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.117 0.484 . . . . 1.8999999999999999 110.064 -174.776 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 856' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 9.7 t70 160.14 143.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.57 -1.196 . . . . 1.45 108.848 173.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 857' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -65.6 -40.75 96.16 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.372 -0.918 . . . . 0.57999999999999996 112.072 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 858' ' ' VAL . 0.0 OUTLIER -73.43 -31.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.94999999999999996 110.334 178.114 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 859' ' ' ASP . . . . . 0.804 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 36.0 t0 -60.64 -40.79 93.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.402 . . . . 0.83999999999999997 110.425 175.423 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.446 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -63.37 -43.05 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.51000000000000001 110.981 178.771 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -34.86 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.102 -0.499 . . . . 1.8500000000000001 110.848 -178.023 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -42.2 80.05 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.467 0.651 . . . . 1.72 110.045 176.165 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 828' ' ' LEU . 1.8 t -61.66 -32.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 0.89000000000000001 109.581 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 864' ' ' LEU . . . . . 0.983 ' HG ' HD21 ' A' ' 897' ' ' LEU . 1.8 tm? -68.14 -36.09 79.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.644 -0.707 . . . . 1.6599999999999999 111.232 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -41.94 84.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.766 0.317 . . . . 0.81999999999999995 110.864 -176.614 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -31.72 25.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 3.46 111.378 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.52 121.31 28.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.968 0.414 . . . . 1.8600000000000001 110.658 -177.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -78.34 78.58 4.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.053 -0.521 . . . . 3.1200000000000001 111.742 -174.046 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 869' ' ' ILE . . . . . 0.593 HD11 ' HG2' ' A' ' 852' ' ' LYS . 0.2 OUTLIER -71.91 147.41 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.882 -0.599 . . . . 1.0600000000000001 109.761 175.571 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.71 -60.36 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 1.6399999999999999 111.317 -174.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.723 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.2 mm -115.06 143.55 24.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.883 -0.414 . . . . 1.03 109.883 -179.076 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.17 127.4 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.741 -0.384 . . . . 0.67000000000000004 111.268 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.65 99.35 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.514 -0.55 . . . . 0.87 109.514 173.085 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.6 p -97.75 103.92 15.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.08 0.467 . . . . 0.72999999999999998 110.016 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 875' ' ' ASP . . . . . 0.43 ' CG ' ' HB ' ' A' ' 902' ' ' VAL . 30.5 t0 -90.78 114.24 26.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.427 -0.806 . . . . 1.3400000000000001 110.187 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 876' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 886' ' ' LEU . 7.0 t . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 115.571 -0.74 . . . . 1.29 110.561 -177.191 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 884' ' ' TYR . . . . . 0.978 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 24.0 p90 . . . . . 0 C--O 1.241 0.634 0 CA-C-O 122.867 1.318 . . . . 2.8399999999999999 109.908 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 885' ' ' ARG . . . . . 0.619 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.38 -25.02 65.56 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.862 -1.517 . . . . 3.3599999999999999 111.049 -163.242 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 886' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.4 OUTLIER -68.39 -34.95 76.94 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.052 0.93 . . . . 2.3399999999999999 108.768 -170.874 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 887' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.1 m -73.8 -26.93 60.87 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.911 -1.495 . . . . 1.28 109.702 178.312 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -59.46 -46.54 88.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.678 -0.692 . . . . 2.1699999999999999 110.054 175.165 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.515 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -62.24 -35.21 78.23 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.046 -0.525 . . . . 2.3599999999999999 110.615 176.485 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 890' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 887' ' ' THR . 89.2 mt -62.43 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.71 110.781 177.284 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -67.79 -38.98 84.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 2.2400000000000002 110.64 179.11 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 892' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 1.5 tp60 -59.39 -46.11 89.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 2.6200000000000001 110.719 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.614 -0.721 . . . . 1.9099999999999999 111.423 -177.523 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 101.24 81.16 1.56 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.607 -0.806 . . . . 1.1200000000000001 111.136 -176.083 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 895' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -82.27 160.82 22.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.694 0.759 . . . . 2.8900000000000001 112.651 -172.345 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 1.2 m -128.7 -4.74 5.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.248 -1.342 . . . . 2.4900000000000002 107.849 172.585 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.983 HD21 ' HG ' ' A' ' 864' ' ' LEU . 0.9 OUTLIER -80.07 147.93 66.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 113.726 -1.579 . . . . 1.3999999999999999 112.894 -167.225 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 898' ' ' PRO . . . . . 0.534 ' HG2' HD13 ' A' ' 871' ' ' ILE . 3.0 Cg_endo -87.97 98.31 0.42 Allowed 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.285 2.656 . . . . 0.72999999999999998 109.471 162.545 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 899' ' ' VAL . . . . . 0.796 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.1 t -99.32 115.56 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.371 0.605 . . . . 0.64000000000000001 111.755 -172.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.77 HD12 HD23 ' A' ' 873' ' ' LEU . 0.1 OUTLIER -101.32 104.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.332 -0.849 . . . . 0.64000000000000001 109.406 174.184 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 901' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 922' ' ' CYS . . . -96.42 117.56 5.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.735 -0.745 . . . . 0.47999999999999998 112.393 -177.574 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 902' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 923' ' ' LEU . 4.1 t -87.29 137.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.431 -0.581 . . . . 1.04 109.431 177.894 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 15.8 p -120.29 132.74 55.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.89000000000000001 111.238 -176.048 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.664 ' HB2' ' HD3' ' A' ' 925' ' ' LYS . . . -108.53 102.48 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.1899999999999999 110.636 175.338 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 48.29 15.8 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.514 -0.766 . . . . 2.7000000000000002 111.78 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 906' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 909' ' ' GLU . . . -81.49 -20.84 39.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.566 -0.288 . . . . 2.8100000000000001 111.181 -178.33 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.55 112.76 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.33 0.652 . . . . 3.9300000000000002 112.336 177.468 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 55.54 48.9 17.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.157 -0.929 . . . . 2.0899999999999999 110.84 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.503 ' CG ' ' HB3' ' A' ' 906' ' ' ALA . 1.4 mp0 -64.9 -17.43 64.31 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.146 -0.934 . . . . 3.3100000000000001 110.32 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 910' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 913' ' ' ARG . 5.2 mt-10 -62.91 -37.91 88.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.351 -0.386 . . . . 3.5800000000000001 110.157 174.788 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -41.31 60.98 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.302 -0.408 . . . . 2.29 110.545 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 912' ' ' GLN . . . . . 0.978 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -63.52 -27.46 69.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.291 0.567 . . . . 2.6499999999999999 109.581 175.719 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 913' ' ' ARG . . . . . 0.724 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -64.62 -48.99 72.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.374 -0.83 . . . . 4.0499999999999998 111.275 178.38 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -27.52 66.05 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.455 -0.572 . . . . 1.6499999999999999 109.455 175.458 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 915' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -68.48 -51.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.136 -0.938 . . . . 1.8799999999999999 111.552 179.121 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 916' ' ' GLU . . . . . 0.724 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -79.59 -44.85 20.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.184 -1.006 . . . . 3.4700000000000002 111.199 -176.183 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 13.3 m 49.17 49.44 19.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.73 1.011 . . . . 1.3500000000000001 113.73 178.222 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.08 24.95 1.59 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.32 -0.943 . . . . 1.02 112.679 174.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 919' ' ' MET . . . . . 0.796 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -103.38 -114.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.126 0.489 . . . . 2.0099999999999998 111.217 -171.365 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' A' ' 919' ' ' MET . 7.8 t70 174.01 -51.66 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.462 -0.94 . . . . 1.26 108.462 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.2 m -162.59 152.97 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.471 -0.786 . . . . 1.26 110.432 177.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 922' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 3.3 m -108.97 151.41 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.439 -0.346 . . . . 1.1299999999999999 110.767 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 923' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 902' ' ' VAL . 67.9 mt -125.62 167.58 14.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.68999999999999995 111.101 -178.758 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.92 146.44 24.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.89000000000000001 110.073 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.664 ' HD3' ' HB2' ' A' ' 904' ' ' ALA . 1.5 tptt -47.87 -44.6 59.03 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.926 1.084 . . . . 1.1100000000000001 113.926 -177.685 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.28 59.04 1.86 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.108 1.872 . . . . 1.01 112.956 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.92 112.33 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 1.3600000000000001 110.304 175.477 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.75 160.72 15.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.92000000000000004 110.52 178.619 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.507 HD23 ' HG2' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -53.14 -45.47 68.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.921 0.391 . . . . 0.92000000000000004 111.112 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.41 -40.05 70.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.945 -0.302 . . . . 1.8500000000000001 111.222 -177.851 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -35.12 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.944 -0.302 . . . . 0.93000000000000005 110.817 -177.751 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 929' ' ' LEU . 0.9 OUTLIER -71.25 -30.58 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 120.99 -0.284 . . . . 1.1799999999999999 110.288 175.088 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -41.73 84.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.332 . . . . 1.8999999999999999 110.501 178.077 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.76 -49.07 79.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 2.25 110.361 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -66.87 -37.67 84.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.321 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.9 -54.56 43.52 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.48 -0.327 . . . . 0.85999999999999999 110.279 178.297 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 10.1 m -57.22 -42.86 82.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.729 -0.669 . . . . 0.87 110.822 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 938' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -55.93 -52.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.414 0.626 . . . . 1.4199999999999999 111.008 179.377 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 939' ' ' TYR . . . . . 0.606 ' HB3' HD12 ' A' ' 871' ' ' ILE . 4.4 m-85 -74.19 -32.02 62.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.126 -0.488 . . . . 1.5900000000000001 111.094 -175.566 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 940' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.69 -41.89 98.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 0.60999999999999999 110.267 177.18 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 938' ' ' LEU . 2.8 pt-20 -64.18 -36.15 83.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.312 -0.404 . . . . 1.8700000000000001 110.51 178.082 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 942' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 56.1 mtt180 -66.95 -48.34 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.371 . . . . 3.1099999999999999 110.855 -178.612 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 943' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 18.6 m -72.03 -31.17 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.456 -0.338 . . . . 0.75 111.068 -178.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 944' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -70.58 -46.28 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.229 -0.188 . . . . 3.5800000000000001 110.842 179.333 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -24.34 62.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 2.7799999999999998 111.251 -177.864 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 15.3 m -86.21 -21.78 27.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.671 0.272 . . . . 1.3400000000000001 111.374 177.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 947' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 3.5299999999999998 111.332 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 2.0 mttp . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.863 0.363 . . . . 7.0099999999999998 110.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -170.51 -177.5 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 5.3499999999999996 110.483 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 150.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.274 -0.639 . . . . 5.29 109.274 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 4.8 m -127.49 50.59 2.0 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.116 0.484 . . . . 4.7199999999999998 110.546 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -74.48 144.64 44.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.782 -0.644 . . . . 4.7400000000000002 110.512 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 823' ' ' ASP . 2.9 t30 -144.56 0.13 0.98 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.119 -0.491 . . . . 4.8600000000000003 110.801 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 824' ' ' ASP . 0.0 OUTLIER 79.1 -40.18 0.24 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.997 0.81 . . . . 5.0800000000000001 111.344 -178.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.508 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 9.4 t70 77.95 -56.5 0.49 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.525 0.73 . . . . 3.9900000000000002 111.787 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.5 92.32 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.24 0.543 . . . . 1.8999999999999999 111.425 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.696 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 11.9 ttm -88.1 108.33 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.777 -0.647 . . . . 1.9299999999999999 109.948 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.902 ' HB ' HD21 ' A' ' 844' ' ' LEU . 4.5 mm -107.12 143.65 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.157 0.503 . . . . 0.46999999999999997 111.2 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 872' ' ' VAL . 60.9 tp -101.6 116.87 33.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 1.3700000000000001 110.575 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -107.8 108.5 25.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.735 0.779 . . . . 1.0600000000000001 109.929 179.031 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.3 t -116.57 137.1 51.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.336 -0.847 . . . . 1.0700000000000001 109.594 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.415 ' CG ' ' HB3' ' A' ' 836' ' ' ASN . 3.6 t70 -148.24 147.48 29.42 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.657 -0.417 . . . . 1.3 110.902 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -94.73 -3.55 49.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 2.0299999999999998 110.473 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 5.5 m170 -117.4 125.49 28.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.814 -0.63 . . . . 2.1200000000000001 110.261 176.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 31.3 Cg_exo -59.6 -39.21 76.75 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.518 2.145 . . . . 1.1200000000000001 112.87 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.72 -39.74 76.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.015 0.436 . . . . 2.2599999999999998 110.055 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 831' ' ' ASP . 2.2 t30 -71.02 -41.01 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 1.8300000000000001 109.948 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.424 HH11 ' HG3' ' A' ' 837' ' ' ARG . 3.9 ttm-85 -56.6 -47.63 79.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 2.7799999999999998 110.878 177.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.507 ' HD3' ' C ' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -54.89 -50.87 67.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.772 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.97 65.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.429 -0.805 . . . . 1.1399999999999999 111.299 -172.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 829' ' ' VAL . 59.4 tp -67.15 -43.03 83.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 1.4299999999999999 110.211 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.26 -35.19 73.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.59999999999999998 110.807 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.14 -47.34 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 1.3400000000000001 110.115 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.818 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.47 -43.49 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 1.8500000000000001 110.477 179.144 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.902 HD21 ' HB ' ' A' ' 827' ' ' ILE . 10.7 tp -63.54 -37.73 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.749 -0.66 . . . . 1.24 111.133 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.07 -40.55 99.37 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.987 -0.625 . . . . 0.52000000000000002 112.419 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 25.0 m -76.69 -19.52 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.82 0.343 . . . . 0.69999999999999996 110.979 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.1 OUTLIER -69.2 -34.77 75.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.461 0.648 . . . . 1.5600000000000001 109.438 171.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 100.9 22.55 10.75 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.266 -0.879 . . . . 0.62 112.101 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -110.36 151.48 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.544 0.211 . . . . 1.22 110.528 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 1.2 tp60 -61.33 124.79 21.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 2.3799999999999999 110.342 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 106.3 16.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.267 -0.424 . . . . 0.93999999999999995 110.932 -177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.13 110.27 22.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.365 -0.606 . . . . 1.4399999999999999 109.365 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.03 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.004 0.43 . . . . 0.62 111.742 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.593 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -141.83 168.58 19.42 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.971 -0.558 . . . . 0.46999999999999997 110.72 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.2 t30 -144.3 72.45 1.34 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.704 -0.226 . . . . 1.8999999999999999 110.883 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.677 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.8 t0 161.03 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.228 0.955 . . . . 1.45 109.828 171.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.43 78.46 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.219 -0.991 . . . . 0.57999999999999996 110.882 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.518 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -68.78 -30.64 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.94999999999999996 110.753 178.007 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 17.8 t0 -63.52 -32.27 73.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.83999999999999997 110.868 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -57.92 -53.68 55.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.51000000000000001 111.19 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.621 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -73.79 -27.68 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 1.8500000000000001 110.944 -178.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.06 -48.35 79.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.435 0.636 . . . . 1.72 109.47 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 828' ' ' LEU . 2.2 t -64.03 -35.15 72.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.203 -0.908 . . . . 0.89000000000000001 110.249 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.88 -31.73 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.6599999999999999 111.182 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 14.6 m -78.2 -27.06 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.25 -0.432 . . . . 0.81999999999999995 110.72 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 4.7 mmmt -84.21 -37.01 22.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 3.46 111.176 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 157.1 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.299 -0.41 . . . . 1.8600000000000001 110.194 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 137.73 34.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.988 0.423 . . . . 3.1200000000000001 111.266 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.563 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -134.21 153.99 36.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.33 -0.396 . . . . 1.0600000000000001 110.417 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 870' ' ' ASP . . . . . 0.709 ' HA ' HH21 ' A' ' 947' ' ' ARG . 8.2 t0 -95.18 -57.19 2.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 1.6399999999999999 110.957 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.8 mm -113.45 130.37 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.084 -0.507 . . . . 1.03 110.65 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.687 HG13 HD23 ' A' ' 828' ' ' LEU . 38.9 t -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.12 -0.232 . . . . 0.67000000000000004 110.724 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -123.32 99.87 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.963 -0.384 . . . . 0.87 109.963 173.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.713 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 11.3 p -111.29 110.44 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.014 -0.275 . . . . 0.72999999999999998 110.383 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 18.4 t0 -95.91 117.78 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.181 0.515 . . . . 1.3400000000000001 111.058 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.48 121.36 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 1.29 110.28 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.501 ' O ' ' HD3' ' A' ' 879' ' ' PRO . 0.0 OUTLIER -110.15 -5.92 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 2.5499999999999998 110.394 -179.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.646 ' HG3' ' HB3' ' A' ' 880' ' ' ASN . 57.2 tpp -100.25 100.63 12.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.656 -0.702 . . . . 3.6600000000000001 111.377 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.801 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 84.9 Cg_endo -83.78 50.37 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.949 2.432 . . . . 3.48 111.595 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 880' ' ' ASN . . . . . 0.646 ' HB3' ' HG3' ' A' ' 878' ' ' MET . 0.1 OUTLIER -115.6 -13.96 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.572 -0.74 . . . . 4.8700000000000001 111.027 -174.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 18.5 tpp -155.14 -58.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.366 . . . . 5.5800000000000001 111.632 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 886' ' ' LEU . 1.6 t0 -116.39 -149.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.439 0.533 . . . . 4.9900000000000002 112.439 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.76 52.98 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.003 -1.639 . . . . 3.04 109.003 -167.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.883 ' HB2' ' HG3' ' A' ' 912' ' ' GLN . 9.2 t80 -173.63 -79.12 0.01 OUTLIER 'General case' 0 C--O 1.249 1.028 0 CA-C-O 122.251 1.024 . . . . 2.8399999999999999 109.223 -164.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.536 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.8 tmm_? -63.44 -29.32 70.62 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.946 -1.025 . . . . 3.3599999999999999 111.428 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -22.3 66.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.304 1.05 . . . . 2.3399999999999999 109.547 -173.428 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -85.23 -28.32 25.47 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.724 -1.58 . . . . 1.28 107.707 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.572 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -62.96 -47.97 80.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 2.1699999999999999 110.002 169.79 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.41 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -63.2 -33.92 76.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.291 -0.413 . . . . 2.3599999999999999 111.38 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.838 HG21 HG21 ' A' ' 899' ' ' VAL . 2.0 mt -67.37 -42.88 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.499 -0.319 . . . . 1.71 110.582 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.593 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.86 -23.51 62.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.124 0.487 . . . . 2.2400000000000002 110.526 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -72.97 -38.25 66.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.047 -0.524 . . . . 2.6200000000000001 110.155 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -31.92 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 1.9099999999999999 110.174 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 103.99 84.68 1.8 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.925 -0.655 . . . . 1.1200000000000001 111.623 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -75.2 121.99 22.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.401 0.619 . . . . 2.8900000000000001 111.108 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.56 24.16 11.51 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.5 -0.773 . . . . 2.4900000000000002 109.136 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.32 155.4 31.72 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 114.592 -1.185 . . . . 1.3999999999999999 109.258 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 126.05 11.28 Favored 'Trans proline' 0 C--O 1.242 0.724 0 C-N-CA 122.441 2.094 . . . . 0.72999999999999998 113.424 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.838 HG21 HG21 ' A' ' 890' ' ' ILE . 21.9 t -101.54 105.64 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 121.371 0.605 . . . . 0.64000000000000001 110.099 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 873' ' ' LEU . 5.5 mt -92.84 108.28 20.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.328 0.585 . . . . 0.64000000000000001 109.952 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.35 99.68 2.58 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.477 -0.783 . . . . 0.47999999999999998 112.055 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.2 OUTLIER -76.77 127.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 108.383 -0.969 . . . . 1.04 108.383 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.82 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 2.4 p -140.39 155.36 46.78 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.632 -0.427 . . . . 0.89000000000000001 111.801 -169.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.4 104.53 4.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 1.1899999999999999 111.229 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 55.47 55.8 6.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.708 -0.678 . . . . 2.7000000000000002 112.326 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.87 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -98.55 42.32 1.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.967 0.413 . . . . 2.8100000000000001 110.152 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.89 -71.04 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.171 -0.922 . . . . 3.9300000000000002 110.815 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -143.66 78.22 1.58 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.211 -0.663 . . . . 2.0899999999999999 109.211 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.87 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 13.5 mp0 -58.15 -45.84 86.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.669 -0.696 . . . . 3.3100000000000001 111.619 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.24 -39.61 75.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 3.5800000000000001 110.562 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -65.4 -35.02 79.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.818 -0.628 . . . . 2.29 110.706 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 884' ' ' TYR . 0.7 OUTLIER -68.57 -39.11 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.276 0.56 . . . . 2.6499999999999999 109.75 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.504 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 5.2 ttt180 -62.26 -39.74 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.409 -0.814 . . . . 4.0499999999999998 110.46 177.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.33 -38.64 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 1.6499999999999999 111.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.19 -52.24 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.098 0.475 . . . . 1.8799999999999999 111.326 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.835 ' HB2' HG22 ' A' ' 887' ' ' THR . 4.3 mm-40 -78.2 -22.17 48.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.663 -0.699 . . . . 3.4700000000000002 110.872 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 917' ' ' SER . . . . . 0.462 ' HB2' HH11 ' A' ' 891' ' ' ARG . 1.5 m 52.43 51.87 15.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.961 1.097 . . . . 1.3500000000000001 113.961 171.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.69 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.02 27.07 1.43 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.409 -0.901 . . . . 1.02 113.487 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.745 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.3 ttm -106.98 -119.95 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.336 0.568 . . . . 2.0099999999999998 111.21 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 919' ' ' MET . 17.3 t70 171.03 -52.14 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 123.861 0.865 . . . . 1.26 108.857 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.17 170.14 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.515 -0.766 . . . . 1.26 110.369 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.504 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 70.1 m -131.58 135.53 47.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.642 -0.254 . . . . 1.1299999999999999 110.501 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.746 ' HB2' HG13 ' A' ' 902' ' ' VAL . 62.2 mt -124.94 -175.27 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.574 -0.284 . . . . 0.68999999999999995 110.587 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.95 153.53 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.89000000000000001 110.042 178.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.2 tptp -49.89 -48.17 78.56 Favored Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 113.788 1.033 . . . . 1.1100000000000001 113.788 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 11.9 Cg_exo -72.78 65.91 3.95 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.067 1.845 . . . . 1.01 113.599 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.4 99.43 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 1.3600000000000001 110.303 173.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.8 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.311 -0.404 . . . . 0.92000000000000004 111.384 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -58.44 -46.31 86.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.737 0.303 . . . . 0.92000000000000004 111.133 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.23 -46.42 73.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.35 -0.386 . . . . 1.8500000000000001 110.719 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.14 -44.86 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.973 -0.558 . . . . 0.93000000000000005 110.338 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.699 HG23 HD23 ' A' ' 936' ' ' LEU . 0.5 OUTLIER -61.68 -38.95 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 1.1799999999999999 110.551 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.45 76.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.204 -0.453 . . . . 1.8999999999999999 112.015 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -69.2 -38.22 78.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 2.25 110.854 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.1 m -65.8 -44.53 85.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.238 . . . . 0.62 111.01 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.699 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.62 -41.28 92.88 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.436 -0.347 . . . . 0.85999999999999999 110.792 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 80.7 m -65.94 -47.29 75.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.317 -0.402 . . . . 0.87 111.015 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.157 0.503 . . . . 1.4199999999999999 110.884 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.443 ' O ' HG22 ' A' ' 943' ' ' VAL . 4.0 m-85 -76.68 -25.55 53.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.143 -0.481 . . . . 1.5900000000000001 111.724 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.04 93.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.278 0.561 . . . . 0.60999999999999999 110.322 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.07 -34.87 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.643 . . . . 1.8700000000000001 109.926 176.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -67.15 -48.45 68.0 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.152 -0.476 . . . . 3.1099999999999999 110.638 -178.347 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 939' ' ' TYR . 17.1 m -66.98 -29.33 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.75 110.423 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.37 -34.59 76.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.487 -0.324 . . . . 3.5800000000000001 110.193 174.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -34.94 33.19 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.92 0.39 . . . . 2.7799999999999998 110.953 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 3.8 m -75.6 -25.9 57.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.38 0.511 . . . . 1.3400000000000001 112.38 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.709 HH21 ' HA ' ' A' ' 870' ' ' ASP . 74.1 mtt-85 -95.57 -33.97 12.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 3.5299999999999998 111.305 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -91.23 114.6 27.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.509 -0.314 . . . . 2.6400000000000001 110.383 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.538 -0.756 . . . . 5.0899999999999999 111.022 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.457 ' HB3' ' H ' ' A' ' 818' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.022 -0.362 . . . . 7.0099999999999998 110.022 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 818' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 817' ' ' LYS . . . -90.76 131.32 36.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.38 . . . . 5.3499999999999996 110.835 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.38 118.23 56.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.12 -0.491 . . . . 5.29 110.273 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.68 26.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 4.7199999999999998 111.221 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -73.65 130.78 40.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.127 -0.488 . . . . 4.7400000000000002 109.993 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -71.89 -74.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 4.8600000000000003 111.743 -174.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.491 ' OD1' ' HG3' ' A' ' 850' ' ' GLN . 1.5 t70 -159.78 -26.3 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.811 -0.177 . . . . 5.0800000000000001 111.223 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 24.6 t70 76.02 -65.86 0.29 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.08 0.952 . . . . 3.9900000000000002 110.62 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.3 118.95 6.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.363 -0.835 . . . . 1.8999999999999999 109.911 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.416 ' O ' HG23 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -98.62 113.31 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.035 0.445 . . . . 1.9299999999999999 110.147 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.795 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -110.7 137.82 41.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.469 -0.787 . . . . 0.46999999999999997 109.751 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.5 OUTLIER -94.79 118.45 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.388 -0.369 . . . . 1.3700000000000001 110.773 -177.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.0 m -101.72 94.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.169 -0.678 . . . . 1.0600000000000001 109.169 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.835 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -110.24 84.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 1.0700000000000001 110.511 -174.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -106.27 154.97 19.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.508 -0.314 . . . . 1.3 111.105 -171.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 832' ' ' ASP . . . . . 0.469 ' HA ' ' ND2' ' A' ' 855' ' ' ASN . 2.1 p-10 -93.28 -18.24 22.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.853 0.686 . . . . 2.0299999999999998 112.853 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 28.9 m170 -127.18 107.96 21.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.275 -0.266 . . . . 2.1200000000000001 110.532 -177.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.8 Cg_endo -40.31 -39.07 2.52 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 124.879 3.719 . . . . 1.1200000000000001 115.375 -167.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -33.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 120.939 0.4 . . . . 2.2599999999999998 111.432 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -83.55 -22.56 32.35 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.874 -0.33 . . . . 1.8300000000000001 110.56 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.411 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 4.1 ttm180 -61.42 -50.53 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 2.7799999999999998 110.017 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -32.02 71.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 2.75 111.352 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -39.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.1399999999999999 111.232 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 932' ' ' ILE . 54.1 tp -66.59 -41.13 88.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 1.4299999999999999 109.813 177.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.76 62.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.608 . . . . 0.59999999999999998 110.921 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -68.47 -48.76 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 1.3400000000000001 110.271 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.812 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.5 OUTLIER -64.32 -35.15 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 1.8500000000000001 110.096 177.325 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.795 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.2 tp -63.25 -43.42 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 1.24 110.487 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.61 -27.82 73.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52000000000000002 111.855 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.1 m -68.44 -28.38 67.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.69999999999999996 110.075 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -81.75 -15.56 53.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.713 -0.676 . . . . 1.5600000000000001 110.469 175.455 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.89 70.14 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.851 -0.613 . . . . 0.62 111.819 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' TYR . . . . . 0.496 ' HD2' HD11 ' A' ' 827' ' ' ILE . 3.7 m-85 -99.58 143.43 29.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 1.22 110.664 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.491 ' HG3' ' OD1' ' A' ' 823' ' ' ASP . 4.2 mm-40 -72.07 132.82 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 2.3799999999999999 111.284 -174.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.618 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -115.76 107.96 15.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 0.93999999999999995 111.192 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -93.39 119.21 32.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.105 -0.702 . . . . 1.4399999999999999 109.105 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.595 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -91.12 136.22 33.23 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.771 0.656 . . . . 0.62 112.771 -168.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.835 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.3 175.48 13.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.832 -0.622 . . . . 0.46999999999999997 109.806 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.676 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.1 t-20 -147.23 74.65 1.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.665 -0.414 . . . . 1.8999999999999999 111.691 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.676 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.1 t70 160.58 164.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.344 1.058 . . . . 1.45 109.798 166.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.674 ' HA3' ' HB3' ' A' ' 886' ' ' LEU . . . -74.02 -42.72 36.1 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.411 -0.899 . . . . 0.57999999999999996 110.916 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.451 HG22 ' OD1' ' A' ' 856' ' ' ASP . 29.7 m -72.64 -29.13 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.082 0.468 . . . . 0.94999999999999996 110.341 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 32.1 t0 -62.68 -40.74 98.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.913 -0.585 . . . . 0.83999999999999997 109.678 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.697 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -65.26 -33.94 77.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 0.51000000000000001 110.354 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -62.76 -43.28 99.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 1.8500000000000001 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -69.26 -49.8 52.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.72 111.066 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 860' ' ' ALA . 8.2 p -64.22 -32.47 57.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.525 -0.307 . . . . 0.89000000000000001 110.759 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 2.4 mt -66.0 -32.35 73.79 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.296 0.57 . . . . 1.6599999999999999 110.426 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 48.7 m -76.3 -21.81 55.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.826 -0.625 . . . . 0.81999999999999995 110.602 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -36.61 20.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 3.46 110.682 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 137.44 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.727 -0.842 . . . . 1.8600000000000001 108.727 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.41 84.2 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.023 0.44 . . . . 3.1200000000000001 111.883 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -61.01 139.54 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.753 . . . . 1.0600000000000001 109.409 170.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 870' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 0.2 OUTLIER -87.63 -30.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.647 0.61 . . . . 1.6399999999999999 112.647 -170.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 9.0 mt -134.19 129.98 54.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.107 -0.331 . . . . 1.03 110.107 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 37.0 t -112.88 131.75 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.923 -0.311 . . . . 0.67000000000000004 111.541 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.665 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -117.92 99.64 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.87 110.112 174.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 p -90.04 103.08 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.931 0.396 . . . . 0.72999999999999998 110.264 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.694 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 60.9 t0 -93.72 118.08 30.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.753 -0.658 . . . . 1.3400000000000001 110.435 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.553 HG21 ' HA3' ' A' ' 883' ' ' GLY . 0.0 OUTLIER -133.51 117.7 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 1.29 111.338 -175.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.742 ' HB2' ' HD3' ' A' ' 925' ' ' LYS . 4.5 t-20 -115.25 48.22 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 2.5499999999999998 109.871 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 43.9 ttm -135.72 84.23 33.53 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.653 -0.703 . . . . 3.6600000000000001 110.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -63.05 -10.72 21.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.975 2.45 . . . . 3.48 112.113 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -72.39 -23.3 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 4.8700000000000001 110.498 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.36 88.51 2.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.681 -0.69 . . . . 5.5800000000000001 109.208 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.451 ' HB3' ' HD1' ' A' ' 884' ' ' TYR . 4.6 t0 -45.57 130.29 8.82 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.977 -1.011 . . . . 4.9900000000000002 112.614 -172.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.553 ' HA3' HG21 ' A' ' 876' ' ' VAL . . . -79.08 -5.35 89.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.325 -0.852 . . . . 3.04 112.819 -175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.729 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.7 p90 -59.59 -41.63 90.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.867 0.841 . . . . 2.8399999999999999 110.602 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.663 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.63 -27.13 62.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.459 -0.792 . . . . 3.3599999999999999 111.475 -168.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.674 ' HB3' ' HA3' ' A' ' 857' ' ' GLY . 0.1 OUTLIER -73.25 -27.57 61.66 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.16 -1.052 . . . . 2.3399999999999999 108.16 -170.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 11.4 m -78.0 -28.26 49.21 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 113.68 -1.6 . . . . 1.28 109.906 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 37.6 tt0 -61.68 -41.4 97.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.679 -0.691 . . . . 2.1699999999999999 109.753 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -37.52 80.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 2.3599999999999999 110.648 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.424 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.4 OUTLIER -64.3 -35.24 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.795 0.331 . . . . 1.71 110.747 178.358 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -69.16 -39.09 79.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 2.2400000000000002 110.057 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.14 -37.6 87.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.38 0.609 . . . . 2.6200000000000001 109.99 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.22 -23.84 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.384 -0.825 . . . . 1.9099999999999999 111.254 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.47 73.96 1.26 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.905 -0.664 . . . . 1.1200000000000001 111.885 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -69.14 133.83 48.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 2.8900000000000001 111.209 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.8 27.42 8.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.953 -0.567 . . . . 2.4900000000000002 110.092 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 870' ' ' ASP . 0.7 OUTLIER -153.86 153.25 28.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 1.3999999999999999 109.648 -177.594 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 16.5 Cg_exo -67.94 133.88 30.44 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 122.799 2.332 . . . . 0.72999999999999998 112.836 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 42.7 t -110.07 125.15 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.64000000000000001 110.491 177.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 873' ' ' LEU . 3.8 mt -112.38 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.013 -0.54 . . . . 0.64000000000000001 110.015 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.35 124.24 7.39 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.648 -0.787 . . . . 0.47999999999999998 112.105 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.0 t -97.03 96.41 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' A' ' 924' ' ' SER . 2.5 p -116.97 171.78 7.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.087 0.47 . . . . 0.89000000000000001 111.611 -172.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -144.33 102.53 3.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 1.1899999999999999 110.434 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 48.01 65.17 1.37 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.029 0.831 . . . . 2.7000000000000002 112.115 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -83.66 49.24 1.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.123 -0.489 . . . . 2.8100000000000001 110.577 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.1 -74.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.447 -0.797 . . . . 3.9300000000000002 111.012 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.42 75.7 1.47 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.407 -0.59 . . . . 2.0899999999999999 109.407 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.46 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.42 -25.86 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 3.3100000000000001 111.59 -174.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.68 -44.65 96.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.239 0.542 . . . . 3.5800000000000001 110.153 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.11 75.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.633 -0.712 . . . . 2.29 110.525 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.729 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.6 OUTLIER -74.0 -28.72 61.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.791 -0.364 . . . . 2.6499999999999999 110.744 -177.152 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.75 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.84 -36.43 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.28 0.562 . . . . 4.0499999999999998 110.078 174.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 13.5 m -73.69 -26.43 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.938 -0.573 . . . . 1.6499999999999999 110.327 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -71.64 -51.74 21.56 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.796 -0.638 . . . . 1.8799999999999999 112.02 -177.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.75 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -77.57 -42.51 34.98 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.216 -0.594 . . . . 3.4700000000000002 110.648 179.138 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.67 49.99 19.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.79 0.663 . . . . 1.3500000000000001 112.79 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.26 10.98 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.002 -1.094 . . . . 1.02 112.529 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.878 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.4 ttm -87.65 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.259 . . . . 2.0099999999999998 111.092 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' A' ' 919' ' ' MET . 25.8 t0 165.74 -52.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.154 0.982 . . . . 1.26 109.109 173.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 157.62 46.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 1.26 110.853 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.32 142.0 48.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.352 -0.385 . . . . 1.1299999999999999 110.445 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 935' ' ' THR . 0.0 OUTLIER -135.3 -175.36 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.68999999999999995 109.938 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.7 m -105.79 149.63 26.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.432 -0.349 . . . . 0.89000000000000001 110.112 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.742 ' HD3' ' HB2' ' A' ' 877' ' ' ASN . 2.1 tptt -44.04 -53.02 14.21 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 113.318 0.859 . . . . 1.1100000000000001 113.318 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 72.1 Cg_endo -77.53 65.35 8.07 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.563 1.509 . . . . 1.01 112.499 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.32 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 1.3600000000000001 110.439 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 170.28 14.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 0.92000000000000004 110.774 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.8 OUTLIER -58.61 -46.29 87.35 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.791 0.293 . . . . 0.92000000000000004 111.791 -175.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.45 -44.23 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.815 0.341 . . . . 1.8500000000000001 110.665 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.16 -47.26 90.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.93000000000000005 110.75 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.1 tt -64.37 -32.8 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.1799999999999999 110.996 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.77 -35.31 78.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.739 0.304 . . . . 1.8999999999999999 110.608 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.52 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.1 OUTLIER -63.68 -54.78 30.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 2.25 110.439 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 935' ' ' THR . . . . . 0.419 HG21 HD21 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -64.77 -41.31 95.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.62 111.056 -179.502 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.767 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.09 -57.51 12.53 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.85999999999999999 111.062 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 21.5 m -62.75 -41.94 99.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.24 -0.436 . . . . 0.87 111.398 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -63.23 -42.07 99.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 1.4199999999999999 111.436 -178.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 943' ' ' VAL . 3.1 m-30 -84.85 -25.9 27.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.933 -0.307 . . . . 1.5900000000000001 111.54 -175.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -65.23 -40.33 93.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 0.60999999999999999 109.903 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.11 71.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.924 -0.58 . . . . 1.8700000000000001 109.694 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -48.51 80.54 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 3.1099999999999999 111.047 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 17.6 m -75.49 -34.7 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.632 -0.258 . . . . 0.75 110.972 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -65.15 -45.12 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 3.5800000000000001 111.304 -178.181 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -29.76 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 2.7799999999999998 111.853 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 35.9 m -75.4 -38.71 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.547 -0.461 . . . . 1.3400000000000001 110.417 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 5.3 ttt85 -73.41 -19.62 60.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 3.5299999999999998 109.865 174.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 3.8 t0 61.06 63.82 1.2 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.043 -0.981 . . . . 2.6400000000000001 110.858 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.846 -1.073 . . . . 5.0899999999999999 109.664 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.925 -0.398 . . . . 7.0099999999999998 109.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -108.73 143.58 37.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 5.3499999999999996 110.992 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.0 122.28 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.951 -0.568 . . . . 5.29 110.039 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.49 131.66 56.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.406 -0.361 . . . . 4.7199999999999998 110.832 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -107.36 -132.35 0.32 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.135 -0.484 . . . . 4.7400000000000002 109.827 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -53.4 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.734 -0.839 . . . . 4.8600000000000003 108.734 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 25.2 t70 177.73 -79.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.19 -1.368 . . . . 5.0800000000000001 108.319 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 9.4 t0 173.49 -62.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.959 -1.019 . . . . 3.9900000000000002 109.06 175.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' MET . . . . . 0.432 ' HE1' ' HA ' ' A' ' 940' ' ' ALA . 1.3 mtp -149.0 141.95 24.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.532 -0.758 . . . . 1.8999999999999999 110.285 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.31 113.09 25.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 1.9299999999999999 110.593 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 38.5 mm -104.89 132.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.665 -0.698 . . . . 0.46999999999999997 110.223 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.869 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.9 tp -96.61 104.52 16.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.931 0.396 . . . . 1.3700000000000001 110.374 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 15.5 m -93.4 100.23 10.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.63 0.729 . . . . 1.0600000000000001 110.399 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.5 t -112.38 125.93 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.629 . . . . 1.0700000000000001 110.153 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.576 ' HB3' ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -148.03 142.84 26.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 117.967 0.349 . . . . 1.3 111.216 175.585 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -78.04 -14.06 59.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.815 0.672 . . . . 2.0299999999999998 112.815 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -119.35 83.49 26.18 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.992 -0.373 . . . . 2.1200000000000001 109.992 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -35.03 -39.76 0.22 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 125.167 3.911 . . . . 1.1200000000000001 116.396 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.7 OUTLIER -57.81 -31.41 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 121.086 0.47 . . . . 2.2599999999999998 111.397 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -73.77 -41.62 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.959 -0.564 . . . . 1.8300000000000001 110.267 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 1.014 ' HE ' ' HA ' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -64.45 -33.68 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.922 -0.311 . . . . 2.7799999999999998 111.138 176.202 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.594 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.29 -50.7 72.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.519 0.676 . . . . 2.75 109.851 173.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.594 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.61 -40.23 76.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.155 -0.929 . . . . 1.1399999999999999 110.964 -173.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -67.57 -30.32 69.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.974 -0.557 . . . . 1.4299999999999999 110.731 178.077 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -72.14 -24.76 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.59999999999999998 110.287 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -47.13 71.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.369 -0.604 . . . . 1.3400000000000001 109.369 173.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.03 95.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.517 -0.765 . . . . 1.8500000000000001 110.459 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -60.53 -37.03 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.24 110.472 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.44 -31.11 79.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.452 -0.794 . . . . 0.52000000000000002 112.308 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -16.54 56.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.69999999999999996 110.481 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -41.39 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.5600000000000001 110.121 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.96 35.6 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.62 112.315 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -123.77 152.98 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 1.22 110.254 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.44 126.55 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 2.3799999999999999 109.958 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 111.76 22.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.83 0.348 . . . . 0.93999999999999995 111.085 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.54 120.21 38.59 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.342 -0.614 . . . . 1.4399999999999999 109.342 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.513 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -88.61 140.04 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.62 112.066 -170.489 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -157.16 171.06 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.675 -0.693 . . . . 0.46999999999999997 109.407 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.5 OUTLIER -154.8 73.09 0.87 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.089 -0.645 . . . . 1.8999999999999999 112.315 -175.04 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.676 ' OD2' HG22 ' A' ' 858' ' ' VAL . 14.0 t70 162.91 156.76 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.227 0.954 . . . . 1.45 109.657 172.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -62.74 -52.55 47.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.966 -0.635 . . . . 0.57999999999999996 112.118 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.676 HG22 ' OD2' ' A' ' 856' ' ' ASP . 1.5 m -74.06 -29.67 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 122.759 -0.26 . . . . 0.94999999999999996 111.018 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.641 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 25.8 t0 -57.53 -33.29 67.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.429 -0.351 . . . . 0.83999999999999997 110.509 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -62.05 -38.4 88.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.51000000000000001 110.676 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -72.88 -33.38 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 1.8500000000000001 110.194 177.763 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.69 -50.59 68.62 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.505 -0.771 . . . . 1.72 110.534 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 828' ' ' LEU . 4.3 p -68.65 -32.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.89000000000000001 110.219 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' A' ' 895' ' ' LEU . 0.3 OUTLIER -58.95 -38.93 80.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.098 0.475 . . . . 1.6599999999999999 110.659 175.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 17.9 m -65.58 -37.6 87.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.81999999999999995 110.604 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -73.82 -41.52 62.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 3.46 111.417 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.99 118.73 8.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 1.8600000000000001 110.235 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 144.92 53.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.136 0.494 . . . . 3.1200000000000001 110.66 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.869 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -132.63 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.311 -0.626 . . . . 1.0600000000000001 109.311 -179.1 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.39 -60.69 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.462 . . . . 1.6399999999999999 111.103 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 13.7 mt -121.0 132.12 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.674 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.2 138.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.67000000000000004 110.025 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 106.89 9.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.985 -0.376 . . . . 0.87 109.985 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.0 p -91.68 99.61 12.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.72999999999999998 110.597 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.52 ' HB2' ' NH1' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.272 -0.876 . . . . 1.3400000000000001 109.946 179.244 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.47 HG23 HG22 ' A' ' 903' ' ' THR . 0.0 OUTLIER -127.36 115.23 39.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 1.29 112.023 -175.542 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.702 ' HB2' ' HE3' ' A' ' 925' ' ' LYS . 0.6 OUTLIER -107.17 12.75 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 2.5499999999999998 109.395 172.062 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 19.3 ttp -77.34 110.87 13.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.477 -0.783 . . . . 3.6600000000000001 110.159 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 877' ' ' ASN . 89.9 Cg_endo -82.18 -0.59 10.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.762 2.308 . . . . 3.48 112.21 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -93.04 120.69 33.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 4.8700000000000001 110.95 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 3.8 tpt 72.2 3.97 4.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.463 -0.789 . . . . 5.5800000000000001 112.687 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.5 t70 66.07 -179.26 0.2 Allowed 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.11 0.481 . . . . 4.9900000000000002 111.587 173.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.55 ' O ' ' HG ' ' A' ' 886' ' ' LEU . . . -78.42 -36.06 31.39 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 109.29 -1.524 . . . . 3.04 109.29 169.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.804 ' HB2' ' HB3' ' A' ' 882' ' ' ASP . 0.1 OUTLIER 19.8 -111.71 0.01 OUTLIER 'General case' 0 C--O 1.246 0.912 0 C-N-CA 125.238 1.415 . . . . 2.8399999999999999 114.482 166.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.659 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.1 -25.46 68.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.204 -1.362 . . . . 3.3599999999999999 112.505 -167.039 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 883' ' ' GLY . 0.3 OUTLIER -65.74 -29.85 70.42 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.303 -0.999 . . . . 2.3399999999999999 108.303 -176.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -69.93 -41.15 75.0 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.596 -1.183 . . . . 1.28 108.517 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.6 tp-100 -57.07 -45.09 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.866 -1.061 . . . . 2.1699999999999999 110.725 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.484 ' HG2' HD23 ' A' ' 861' ' ' LEU . 0.2 OUTLIER -57.73 -37.34 73.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 2.3599999999999999 110.888 -179.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.693 HG13 HD21 ' A' ' 861' ' ' LEU . 6.2 mt -57.57 -47.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 1.71 110.538 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.04 68.99 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.258 -0.428 . . . . 2.2400000000000002 111.277 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 59.5 mt-30 -74.88 -37.36 62.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.088 0.47 . . . . 2.6200000000000001 110.82 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 861' ' ' LEU . 6.6 tp -76.41 -4.37 42.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 1.9099999999999999 110.711 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 1.1200000000000001 113.406 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.624 HD21 ' HG ' ' A' ' 864' ' ' LEU . 4.0 mp -90.44 110.44 21.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.991 0.424 . . . . 2.8900000000000001 109.944 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 7.5 t -99.86 -3.8 31.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.499 0.666 . . . . 2.4900000000000002 109.66 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.75 151.46 84.65 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.233 -0.894 . . . . 1.3999999999999999 109.661 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.1 119.6 6.95 Favored 'Trans proline' 0 C--O 1.241 0.65 0 C-N-CA 123.037 2.491 . . . . 0.72999999999999998 113.328 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.7 t -106.04 109.12 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.356 0.598 . . . . 0.64000000000000001 110.281 175.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 40.8 mt -84.57 113.74 23.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.817 -0.629 . . . . 0.64000000000000001 110.262 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 901' ' ' GLY . . . . . 0.429 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -89.05 91.74 1.75 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.69 -0.767 . . . . 0.47999999999999998 112.217 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.631 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.0 OUTLIER -83.61 98.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.102 -0.703 . . . . 1.04 109.102 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.47 HG22 HG23 ' A' ' 876' ' ' VAL . 52.0 p -121.5 -174.75 2.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.579 0.704 . . . . 0.89000000000000001 112.392 -168.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -138.66 160.09 40.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.822 -1.081 . . . . 1.1899999999999999 108.234 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.32 100.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 2.7000000000000002 111.83 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -134.81 86.23 2.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 2.8100000000000001 109.156 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 907' ' ' LEU . 0.1 OUTLIER 70.55 -86.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 3.9300000000000002 110.086 -176.278 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.445 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -166.77 71.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 2.0899999999999999 110.254 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 3.3100000000000001 111.367 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.21 -40.64 90.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.992 0.425 . . . . 3.5800000000000001 110.355 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.02 -38.94 86.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 2.29 110.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 884' ' ' TYR . 1.8 mp0 -69.86 -32.02 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.229 0.537 . . . . 2.6499999999999999 109.926 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.735 ' HG3' ' HB2' ' A' ' 919' ' ' MET . 14.1 ttp85 -64.12 -31.31 72.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.429 -0.805 . . . . 4.0499999999999998 110.131 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.56 -43.99 36.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 1.6499999999999999 110.945 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -52.66 20.92 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 111.873 0.323 . . . . 1.8799999999999999 111.873 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.68 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 13.1 mm-40 -78.38 -23.11 46.97 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.647 0.379 . . . . 3.4700000000000002 111.561 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.52 54.41 10.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.443 1.275 . . . . 1.3500000000000001 114.443 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -132.58 26.75 3.62 Favored Glycine 0 C--O 1.222 -0.611 0 C-N-CA 119.957 -1.116 . . . . 1.02 113.741 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.873 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.8 mtt -117.63 -126.11 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 118.131 0.965 . . . . 2.0099999999999998 112.057 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.504 ' H ' ' HB3' ' A' ' 919' ' ' MET . 23.9 t0 170.58 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.249 1.02 . . . . 1.26 108.738 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.04 173.81 10.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.725 . . . . 1.26 110.822 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.465 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 97.1 m -145.85 120.68 9.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.732 -0.47 . . . . 1.1299999999999999 109.732 176.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 935' ' ' THR . 20.4 mt -125.93 -174.86 3.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.588 -0.278 . . . . 0.68999999999999995 110.275 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.461 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -97.57 143.37 28.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.178 -0.464 . . . . 0.89000000000000001 110.056 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.702 ' HE3' ' HB2' ' A' ' 877' ' ' ASN . 0.2 OUTLIER -48.39 -44.53 64.75 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.829 0.677 . . . . 1.1100000000000001 112.829 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 57.1 Cg_endo -71.14 64.12 2.64 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.694 1.596 . . . . 1.01 112.663 175.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.13 84.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.3600000000000001 110.608 175.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 928' ' ' THR . . . . . 0.405 ' O ' ' HB ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -71.17 169.01 16.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.846 -0.616 . . . . 0.92000000000000004 110.643 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -38.49 65.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.698 0.285 . . . . 0.92000000000000004 111.249 -178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.87 -61.42 2.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 1.8500000000000001 111.548 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.48 -29.52 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.184 -0.462 . . . . 0.93000000000000005 111.489 -176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -69.09 -35.52 69.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.57 -0.286 . . . . 1.1799999999999999 110.567 179.165 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -40.29 78.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.597 0.237 . . . . 1.8999999999999999 110.477 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -58.35 -57.27 13.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.024 -0.535 . . . . 2.25 110.582 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 935' ' ' THR . . . . . 0.722 HG21 HD11 ' A' ' 923' ' ' LEU . 1.1 m -63.28 -41.57 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.757 -0.656 . . . . 0.62 112.113 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.6 OUTLIER -66.12 -46.52 77.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.886 -0.143 . . . . 0.85999999999999999 111.153 -177.45 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 26.8 m -66.66 -42.58 86.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.686 0.279 . . . . 0.87 111.034 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -40.64 97.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.129 0.49 . . . . 1.4199999999999999 110.817 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 942' ' ' ARG . 1.9 m-85 -75.24 -38.06 60.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.348 -0.387 . . . . 1.5900000000000001 111.302 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.432 ' HA ' ' HE1' ' A' ' 825' ' ' MET . . . -63.41 -32.02 73.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.912 0.386 . . . . 0.60999999999999999 110.262 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -67.9 -44.81 76.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.025 -0.534 . . . . 1.8700000000000001 110.683 178.234 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.472 ' HD3' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -72.98 -35.55 66.9 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.639 -0.424 . . . . 3.1099999999999999 111.46 -176.087 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 34.6 m -72.28 -30.28 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.75 110.31 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 944' ' ' ARG . 18.8 mtt-85 -75.16 -26.8 59.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 3.5800000000000001 110.123 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -71.54 -46.81 58.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 2.7799999999999998 109.912 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 28.0 m -63.37 -36.39 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.3400000000000001 110.434 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -61.08 -59.07 5.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 3.5299999999999998 110.468 177.106 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 17.4 t0 58.95 82.44 0.14 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.508 -0.769 . . . . 2.6400000000000001 111.215 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.785 -0.643 . . . . 5.0899999999999999 109.709 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 111.745 0.276 . . . . 7.0099999999999998 111.745 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -126.14 -84.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.127 -0.358 . . . . 5.3499999999999996 111.433 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.23 150.27 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.488 -0.324 . . . . 5.29 110.572 -176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.21 153.91 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.434 -0.348 . . . . 4.7199999999999998 110.306 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.47 120.36 40.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.084 -0.339 . . . . 4.7400000000000002 110.084 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.55 -39.53 31.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.248 -0.433 . . . . 4.8600000000000003 109.982 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.85 88.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.474 -0.784 . . . . 5.0800000000000001 111.689 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.33 70.12 8.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.495 -0.775 . . . . 3.9900000000000002 109.54 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.58 91.55 2.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.292 -0.867 . . . . 1.8999999999999999 109.249 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.922 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -91.45 110.44 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.221 -0.9 . . . . 1.9299999999999999 111.049 -174.555 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 844' ' ' LEU . 4.4 mm -98.76 128.03 50.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.857 -0.61 . . . . 0.46999999999999997 109.615 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.67 HD13 HG11 ' A' ' 863' ' ' VAL . 19.8 tp -94.44 103.8 15.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 1.3700000000000001 110.116 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -92.71 101.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.744 0.783 . . . . 1.0600000000000001 110.349 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 875' ' ' ASP . 2.7 t -101.36 139.08 23.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.222 -0.899 . . . . 1.0700000000000001 110.13 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.659 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 8.6 t70 -153.44 134.01 13.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.665 -0.494 . . . . 1.3 109.665 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.18 -35.18 71.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.865 -0.607 . . . . 2.0299999999999998 111.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 0.5 OUTLIER -120.32 130.58 24.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.472 . . . . 2.1200000000000001 111.799 -174.598 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 72.0 Cg_exo -50.53 -35.56 46.47 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.144 3.229 . . . . 1.1200000000000001 114.981 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 tp -62.02 -47.83 91.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 121.134 0.492 . . . . 2.2599999999999998 111.41 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.659 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.7 OUTLIER -78.78 -29.09 44.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.504 -0.554 . . . . 1.8300000000000001 109.504 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -54.01 -51.11 65.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.863 -0.608 . . . . 2.7799999999999998 111.0 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 2.75 110.767 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -53.13 35.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.1399999999999999 111.009 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 1.4299999999999999 110.719 -178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.34 68.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.59999999999999998 111.011 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -36.83 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.3400000000000001 110.097 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.494 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -59.58 -43.36 93.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.748 -0.66 . . . . 1.8500000000000001 109.783 173.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 847' ' ' LEU . 49.9 tp -65.47 -32.87 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.678 -0.692 . . . . 1.24 110.508 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.22 92.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.028 -0.606 . . . . 0.52000000000000002 111.688 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 15.1 m -74.46 -21.7 59.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.69999999999999996 110.844 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 844' ' ' LEU . 1.7 mt -73.89 -31.41 63.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.973 0.416 . . . . 1.5600000000000001 110.407 174.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.5 13.74 64.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.897 -0.668 . . . . 0.62 113.13 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -96.19 172.74 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.74 0.27 . . . . 1.22 110.781 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.922 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.6 tp-100 -70.01 133.49 47.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 2.3799999999999999 110.208 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 6.6 t -109.14 112.97 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.836 0.351 . . . . 0.93999999999999995 111.134 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -115.23 112.17 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 1.4399999999999999 109.388 175.514 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.17 144.27 25.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.713 0.635 . . . . 0.62 112.713 -173.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -151.28 171.13 17.93 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.855 -0.611 . . . . 0.46999999999999997 109.358 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.57 71.66 1.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.086 0.772 . . . . 1.8999999999999999 113.086 -177.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.1 t70 162.06 164.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.17 0.988 . . . . 1.45 109.761 168.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.682 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -72.17 -41.19 54.36 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.935 -0.866 . . . . 0.57999999999999996 110.935 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.75 -30.88 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.94999999999999996 110.439 176.299 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 20.3 t0 -62.58 -32.67 73.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.83999999999999997 110.041 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.15 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.42 -0.809 . . . . 0.51000000000000001 110.903 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.4 pp -69.5 -27.7 65.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.318 . . . . 1.8500000000000001 110.745 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -51.69 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 1.72 109.758 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.65 -32.74 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.89000000000000001 110.24 176.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.735 HD11 HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -65.6 -32.6 74.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 1.6599999999999999 111.134 178.1 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.4 m -73.16 -28.9 62.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.81999999999999995 110.171 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -22.8 23.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.024 -0.534 . . . . 3.46 111.982 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -149.95 141.11 23.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.409 0.147 . . . . 1.8600000000000001 110.979 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -48.86 -65.89 0.49 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.681 0.613 . . . . 3.1200000000000001 112.472 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.0 OUTLIER 66.25 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 123.601 0.563 . . . . 1.0600000000000001 111.029 -173.007 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -103.86 -55.28 2.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 1.6399999999999999 110.806 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.9 mm -123.74 133.29 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.03 110.109 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.735 HG21 HD11 ' A' ' 864' ' ' LEU . 74.8 t -105.29 127.13 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.67000000000000004 111.094 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 900' ' ' ILE . 11.7 mt -119.02 98.99 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.963 -0.562 . . . . 0.87 109.545 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.568 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -94.39 96.75 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.141 0.496 . . . . 0.72999999999999998 110.075 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 0.3 OUTLIER -97.53 130.64 44.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.618 -0.719 . . . . 1.3400000000000001 110.611 -178.155 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 903' ' ' THR . 0.0 OUTLIER -124.7 112.92 33.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.327 -0.397 . . . . 1.29 110.989 -179.113 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.32 12.76 31.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.533 0.683 . . . . 2.5499999999999998 109.841 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.436 ' HA ' ' HD3' ' A' ' 879' ' ' PRO . 0.0 OUTLIER -121.24 126.64 26.48 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.275 -0.875 . . . . 3.6600000000000001 109.831 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 878' ' ' MET . 8.3 Cg_exo -72.56 67.8 3.67 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.161 2.574 . . . . 3.48 112.378 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.93 164.05 26.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 4.8700000000000001 110.966 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -37.19 64.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 5.5800000000000001 110.924 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -96.9 109.99 22.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 4.9900000000000002 110.943 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -124.84 22.77 6.37 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.939 -0.864 . . . . 3.04 110.939 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 1.003 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.9 p90 -138.9 -55.35 0.6 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.577 0.704 . . . . 2.8399999999999999 112.032 -176.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.555 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.4 -24.77 57.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.199 -0.909 . . . . 3.3599999999999999 111.216 -164.424 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.682 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.5 OUTLIER -66.78 -34.79 78.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 122.122 0.963 . . . . 2.3399999999999999 108.868 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 887' ' ' THR . . . . . . . . . . . . . 31.5 m -80.57 -27.36 37.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.181 -1.372 . . . . 1.28 109.535 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 892' ' ' GLN . 0.4 OUTLIER -57.46 -45.51 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.336 -0.616 . . . . 2.1699999999999999 109.336 173.108 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.89 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.3 -0.864 . . . . 2.3599999999999999 110.759 175.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -63.0 -34.33 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.896 0.379 . . . . 1.71 110.761 177.423 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 917' ' ' SER . 1.2 ttp85 -67.03 -45.15 78.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.112 0.482 . . . . 2.2400000000000002 110.329 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 42.5 mt-30 -67.01 -24.16 65.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 2.6200000000000001 110.418 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -20.6 63.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 1.9099999999999999 111.346 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.44 4.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.514 -0.851 . . . . 1.1200000000000001 111.735 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -58.58 146.18 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.181 0.515 . . . . 2.8900000000000001 111.639 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.12 32.35 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.856 -0.611 . . . . 2.4900000000000002 110.534 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -151.16 158.63 34.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 1.3999999999999999 109.806 -177.69 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.495 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 6.2 Cg_exo -78.42 138.28 15.51 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.096 2.53 . . . . 0.72999999999999998 113.003 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.907 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.1 t -118.36 135.64 58.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.395 0.617 . . . . 0.64000000000000001 111.17 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.556 ' HB ' HD23 ' A' ' 873' ' ' LEU . 27.5 mt -118.15 131.15 71.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.751 -0.659 . . . . 0.64000000000000001 109.979 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -116.44 110.39 2.14 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.833 -0.699 . . . . 0.47999999999999998 111.842 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.457 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 23.5 t -98.6 113.55 33.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.462 -0.57 . . . . 1.04 109.462 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.41 ' HA ' HG23 ' A' ' 876' ' ' VAL . 44.1 p -113.78 156.08 24.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 0.89000000000000001 111.807 -170.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -109.52 104.91 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 1.1899999999999999 110.761 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.22 43.45 26.6 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.707 0.63 . . . . 2.7000000000000002 111.527 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -90.71 89.5 7.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.509 . . . . 2.8100000000000001 110.312 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.89 121.06 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.739 -0.664 . . . . 3.9300000000000002 111.374 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 68.96 27.15 5.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.495 -0.775 . . . . 2.0899999999999999 112.03 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.46 ' OE1' ' HG3' ' A' ' 910' ' ' GLU . 1.1 pm0 -65.67 -28.39 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.909 -0.404 . . . . 3.3100000000000001 109.909 176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.46 ' HG3' ' OE1' ' A' ' 909' ' ' GLU . 26.5 mt-10 -59.8 -37.11 78.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.865 -0.607 . . . . 3.5800000000000001 110.35 176.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -73.91 -36.2 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 2.29 110.593 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 1.003 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -71.1 -29.21 64.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.245 -0.582 . . . . 2.6499999999999999 110.231 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.704 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.1 OUTLIER -63.39 -35.21 79.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 4.0499999999999998 109.991 173.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.41 -26.51 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 1.6499999999999999 110.145 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.8799999999999999 111.841 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.704 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -77.89 -42.75 32.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.579 -0.448 . . . . 3.4700000000000002 111.546 -178.024 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 917' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 50.6 m 52.26 50.49 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.493 0.923 . . . . 1.3500000000000001 113.493 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -129.09 -8.31 3.76 Favored Glycine 0 C--N 1.317 -0.497 0 C-N-CA 120.158 -1.02 . . . . 1.02 111.724 173.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.907 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.1 ttm -78.83 -113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.264 . . . . 2.0099999999999998 110.913 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' A' ' 919' ' ' MET . 19.2 t0 160.43 -53.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.55 1.14 . . . . 1.26 109.23 174.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.5 m -131.51 140.66 49.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.913 -0.585 . . . . 1.26 111.146 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 3.8 m -123.01 130.63 53.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.322 -0.399 . . . . 1.1299999999999999 109.926 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 10.0 mt -120.83 177.08 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.886 0.374 . . . . 0.68999999999999995 110.925 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.74 139.66 33.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.746 -0.661 . . . . 0.89000000000000001 110.025 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.538 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 1.5 tptt -49.36 -39.63 40.58 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 113.523 0.934 . . . . 1.1100000000000001 113.523 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 44.0 Cg_endo -69.4 59.59 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.767 1.645 . . . . 1.01 112.567 171.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.9 166.66 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.338 -0.392 . . . . 1.3600000000000001 110.59 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.56 171.95 13.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 0.92000000000000004 110.322 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -60.15 -46.27 90.24 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 123.282 0.364 . . . . 0.92000000000000004 110.728 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 930' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 37.9 t70 -68.17 -41.53 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.961 -0.295 . . . . 1.8500000000000001 111.044 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 931' ' ' VAL . . . . . 0.401 ' HA ' ' NE2' ' A' ' 934' ' ' GLN . 11.2 t -60.77 -47.98 90.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.769 0.319 . . . . 0.93000000000000005 110.571 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -24.61 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 1.1799999999999999 110.274 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -40.26 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 1.8999999999999999 110.634 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 0.9 OUTLIER -61.33 -49.69 75.94 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.029 -0.36 . . . . 2.25 110.029 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -45.71 91.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.347 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.25 -49.19 72.86 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.37 -0.377 . . . . 0.85999999999999999 111.417 -178.04 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.0 m -65.18 -39.82 93.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.502 -0.317 . . . . 0.87 111.527 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -38.27 73.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 1.4199999999999999 110.597 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 2.6 m-30 -71.61 -36.42 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.383 . . . . 1.5900000000000001 110.56 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.58 -35.47 80.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.60999999999999999 110.859 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.1 -33.98 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.157 -0.312 . . . . 1.8700000000000001 110.157 177.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 14.6 tpp180 -65.98 -47.29 75.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.339 -0.391 . . . . 3.1099999999999999 110.31 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 31.9 m -71.62 -30.02 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.814 -0.354 . . . . 0.75 110.351 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 1.1 tpt180 -62.85 -50.49 70.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.314 -0.403 . . . . 3.5800000000000001 110.595 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.07 -39.38 93.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.991 -0.549 . . . . 2.7799999999999998 110.815 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 14.9 m -72.4 -25.24 61.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 1.3400000000000001 111.636 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -87.05 -61.86 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 3.5299999999999998 110.557 178.455 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 948' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 949' ' ' SER . 20.7 t0 -170.56 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.924 -0.58 . . . . 2.6400000000000001 110.107 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 949' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 948' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.842 -0.599 . . . . 5.0899999999999999 109.649 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.005 0.431 . . . . 7.0099999999999998 110.58 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -70.86 153.01 43.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 5.3499999999999996 110.964 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.57 118.42 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.013 -0.54 . . . . 5.29 110.859 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.61 159.21 23.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.01 -0.541 . . . . 4.7199999999999998 109.882 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -93.99 174.33 7.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.796 0.332 . . . . 4.7400000000000002 110.906 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' ASN . . . . . 0.414 ' HB2' ' H ' ' A' ' 823' ' ' ASP . 68.0 m-20 -119.47 -89.74 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 4.8600000000000003 109.813 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.576 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 9.8 t70 -172.27 -133.7 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.208 -1.36 . . . . 5.0800000000000001 107.563 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.576 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 25.0 t70 165.08 -67.93 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.945 0.778 . . . . 3.9900000000000002 110.364 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 825' ' ' MET . . . . . 0.448 ' HE1' HG21 ' A' ' 943' ' ' VAL . 1.6 mmt -132.07 93.12 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.839 -0.618 . . . . 1.8999999999999999 110.611 -177.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 26.7 ttm -89.01 117.34 27.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 1.9299999999999999 110.121 177.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -111.17 136.79 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.46999999999999997 110.231 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.842 ' HB2' HG21 ' A' ' 869' ' ' ILE . 17.4 tp -105.15 119.14 38.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 1.3700000000000001 110.487 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.4 m -104.25 101.73 12.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.493 0.663 . . . . 1.0600000000000001 110.181 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.811 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -109.48 86.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 1.0700000000000001 111.485 -174.172 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -107.66 144.12 35.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.597 0.236 . . . . 1.3 110.945 -176.204 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.42 -9.58 44.15 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.728 0.64 . . . . 2.0299999999999998 112.728 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.3 OUTLIER -125.71 92.93 45.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.962 -0.461 . . . . 2.1200000000000001 110.638 -179.103 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 39.6 Cg_exo -29.31 -41.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.755 1 C-N-CA 126.222 4.615 . . . . 1.1200000000000001 116.869 -170.18 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -57.68 -36.35 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 120.877 0.37 . . . . 2.2599999999999998 111.523 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -72.87 -38.46 66.98 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.632 -0.507 . . . . 1.8300000000000001 109.632 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.529 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -53.4 -52.03 60.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 2.7799999999999998 111.211 179.473 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.639 ' HD2' ' HG ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -67.02 -34.95 78.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.444 -0.344 . . . . 2.75 111.23 -177.442 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.639 ' HG ' ' HD2' ' A' ' 838' ' ' ARG . 20.6 mt -71.4 -45.74 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.232 0.539 . . . . 1.1399999999999999 111.09 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.8 tp -68.16 -40.31 82.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.495 -0.775 . . . . 1.4299999999999999 110.498 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.88 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.59999999999999998 110.53 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -61.68 -50.78 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 1.3400000000000001 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.2 OUTLIER -62.01 -37.85 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 1.8500000000000001 111.035 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 12.4 tp -65.14 -37.86 88.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 1.24 110.828 177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.17 96.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.96 -0.564 . . . . 0.52000000000000002 112.108 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -27.74 69.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.888 0.375 . . . . 0.69999999999999996 110.595 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.684 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -68.14 -29.02 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 1.5600000000000001 110.754 177.236 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.91 19.62 53.02 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.863 -0.684 . . . . 0.62 111.661 -176.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.96 153.8 19.86 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 1.22 109.919 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 3.2 mm100 -69.29 128.79 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.923 0.392 . . . . 2.3799999999999999 110.604 -177.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 112.77 23.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.082 -0.508 . . . . 0.93999999999999995 110.986 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.08 123.02 48.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.18 -0.674 . . . . 1.4399999999999999 109.18 175.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 131.04 43.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.473 0.546 . . . . 0.62 112.473 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.811 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -149.18 174.44 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 0.46999999999999997 108.824 176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 7.5 p-10 -151.2 73.31 1.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.628 -0.829 . . . . 1.8999999999999999 113.143 -171.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.649 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.3 t70 162.9 156.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.807 0.843 . . . . 1.45 109.88 167.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.48 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -68.85 -41.17 83.72 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.189 -1.005 . . . . 0.57999999999999996 111.611 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.27 -30.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.752 0.31 . . . . 0.94999999999999996 110.656 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.88 -30.93 71.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.032 0.444 . . . . 0.83999999999999997 110.122 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.33 -44.58 88.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 0.51000000000000001 110.79 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.573 HD11 HG12 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -66.47 -38.73 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 1.8500000000000001 110.587 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.62 -52.05 67.2 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.604 -0.726 . . . . 1.72 110.943 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 869' ' ' ILE . 13.7 p -70.42 -31.48 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.293 -0.412 . . . . 0.89000000000000001 110.829 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 872' ' ' VAL . 0.2 OUTLIER -61.09 -37.54 83.1 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.434 -0.348 . . . . 1.6599999999999999 111.526 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.1 -34.29 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.814 0.34 . . . . 0.81999999999999995 110.466 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -56.02 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.964 -0.562 . . . . 3.46 110.927 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -131.79 137.92 48.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.874 -0.417 . . . . 1.8600000000000001 109.874 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -77.35 92.22 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.26 0.552 . . . . 3.1200000000000001 111.447 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.842 HG21 ' HB2' ' A' ' 828' ' ' LEU . 1.4 mp -78.97 143.09 13.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.933 -1.136 . . . . 1.0600000000000001 107.933 166.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -25.95 17.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.435 0.532 . . . . 1.6399999999999999 112.435 -169.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 22.6 mm -129.85 125.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.243 -0.28 . . . . 1.03 110.243 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.52 HG22 HD21 ' A' ' 864' ' ' LEU . 11.7 t -98.23 123.24 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.67000000000000004 110.936 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' A' ' 900' ' ' ILE . 28.1 mt -121.11 98.22 5.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.884 -0.413 . . . . 0.87 109.884 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 33.6 p -91.56 103.73 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 0.72999999999999998 109.847 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.843 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 17.1 t0 -87.17 105.22 17.05 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.551 -0.75 . . . . 1.3400000000000001 110.159 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 27.6 t -107.76 119.43 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.811 -0.631 . . . . 1.29 111.207 -171.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.57 -25.81 10.72 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.462 -0.57 . . . . 2.5499999999999998 109.462 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 2.4 tpt -118.68 77.94 14.96 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.628 -0.714 . . . . 3.6600000000000001 111.646 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.493 ' HA ' ' HA3' ' A' ' 883' ' ' GLY . 71.5 Cg_endo -98.69 39.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.377 2.718 . . . . 3.48 112.075 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -82.92 -29.23 29.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 4.8700000000000001 111.863 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 17.8 ttp -132.4 -50.03 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 5.5800000000000001 110.654 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.417 ' OD1' ' HB3' ' A' ' 885' ' ' ARG . 27.0 t70 -95.68 -92.41 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.178 -0.675 . . . . 4.9900000000000002 109.178 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.635 ' O ' HD12 ' A' ' 886' ' ' LEU . . . 55.25 -107.13 0.68 Allowed Glycine 0 C--O 1.219 -0.789 0 C-N-CA 121.299 -0.476 . . . . 3.04 112.571 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.563 ' HD2' ' HG2' ' A' ' 916' ' ' GLU . 33.1 p90 -51.83 -30.17 22.35 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 122.602 1.191 . . . . 2.8399999999999999 111.349 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.787 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 1.1 tmm_? -55.02 -28.92 55.83 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.744 -1.116 . . . . 3.3599999999999999 109.948 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.711 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -63.79 -25.23 68.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.205 0.526 . . . . 2.3399999999999999 109.667 -177.684 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.711 ' N ' HD13 ' A' ' 886' ' ' LEU . 0.6 OUTLIER -71.54 -31.32 66.89 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.1 -1.074 . . . . 1.28 108.1 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.682 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.3 tt0 -65.64 -44.06 87.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.532 -1.213 . . . . 2.1699999999999999 110.428 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.513 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -60.74 -38.63 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 2.3599999999999999 110.34 177.445 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 861' ' ' LEU . 56.0 mt -59.58 -51.01 77.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.064 -0.516 . . . . 1.71 111.031 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 917' ' ' SER . 0.1 OUTLIER -63.24 -41.52 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 2.2400000000000002 110.85 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.24 -30.71 70.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 2.6200000000000001 110.718 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -55.48 9.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 1.9099999999999999 109.874 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.67 72.53 0.25 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.732 -0.747 . . . . 1.1200000000000001 111.928 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 895' ' ' LEU . 0.7 OUTLIER -67.72 135.64 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 2.8900000000000001 110.689 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.15 -1.22 14.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.113 -0.494 . . . . 2.4900000000000002 110.406 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.31 158.63 71.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.65 -0.704 . . . . 1.3999999999999999 110.194 -174.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.27 129.63 26.11 Favored 'Trans proline' 0 C--O 1.244 0.822 0 C-N-CA 123.131 2.554 . . . . 0.72999999999999998 113.571 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 12.0 t -111.59 121.77 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.64000000000000001 110.252 174.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.564 ' HB ' HD23 ' A' ' 873' ' ' LEU . 1.1 mt -114.31 116.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.73 -0.668 . . . . 0.64000000000000001 109.497 176.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -102.5 126.64 8.94 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.449 -0.881 . . . . 0.47999999999999998 112.136 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.633 HG22 HD12 ' A' ' 923' ' ' LEU . 2.1 t -91.12 95.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.203 -0.665 . . . . 1.04 109.203 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.91 173.46 7.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.815 -0.63 . . . . 0.89000000000000001 111.445 -173.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -142.99 103.66 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.643 0.258 . . . . 1.1899999999999999 110.869 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 905' ' ' ASN . . . . . 0.418 ' HB3' ' H ' ' A' ' 906' ' ' ALA . 17.1 t-20 63.96 -103.64 0.11 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.553 -0.749 . . . . 2.7000000000000002 111.291 175.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.418 ' H ' ' HB3' ' A' ' 905' ' ' ASN . . . 58.62 18.24 5.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.966 0.506 . . . . 2.8100000000000001 111.642 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.2 mp 69.95 -53.64 0.62 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.702 0.801 . . . . 3.9300000000000002 111.713 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -139.92 71.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.424 -0.353 . . . . 2.0899999999999999 110.384 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 2.5 pt-20 -61.6 -50.74 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 3.3100000000000001 111.537 -177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -61.15 -40.94 95.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 3.5800000000000001 110.588 -179.026 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -36.52 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.754 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.7 mp0 -73.4 -31.0 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 2.6499999999999999 109.992 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.696 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 11.5 ttp180 -66.73 -27.53 67.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.829 -0.623 . . . . 4.0499999999999998 110.085 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 70.3 m -76.27 -30.34 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 1.6499999999999999 110.638 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -51.32 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 1.8799999999999999 111.075 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.695 ' HG3' ' HA ' ' A' ' 885' ' ' ARG . 8.9 mm-40 -78.05 -25.77 47.97 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.946 -0.57 . . . . 3.4700000000000002 110.564 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 917' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 50.52 53.12 13.5 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.476 1.658 . . . . 1.3500000000000001 115.476 166.796 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.54 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.29 25.63 2.48 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.413 -1.375 . . . . 1.02 113.966 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.762 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.1 ttt -113.94 -100.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.563 0.681 . . . . 2.0099999999999998 111.734 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.468 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.3 t70 160.5 -57.33 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.364 -1.289 . . . . 1.26 107.711 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 58.4 m -147.59 160.27 42.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.116 -0.947 . . . . 1.26 110.749 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.696 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -133.01 147.54 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 1.1299999999999999 110.41 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.633 HD12 HG22 ' A' ' 902' ' ' VAL . 0.2 OUTLIER -126.62 -175.69 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.502 -0.555 . . . . 0.68999999999999995 109.502 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.96 135.83 50.89 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.287 -0.165 . . . . 0.89000000000000001 111.008 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.501 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -43.64 -47.47 19.38 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.494 0.924 . . . . 1.1100000000000001 113.494 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 22.0 Cg_exo -67.8 60.14 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.102 1.868 . . . . 1.01 112.445 174.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 1.1 t -89.33 143.4 11.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 1.3600000000000001 110.41 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.62 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.435 -0.348 . . . . 0.92000000000000004 111.413 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -55.53 -40.15 71.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.04 -0.527 . . . . 0.92000000000000004 111.512 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.6 -43.24 60.21 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.941 -0.304 . . . . 1.8500000000000001 111.109 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.65 -45.48 97.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.069 0.462 . . . . 0.93000000000000005 110.621 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 847' ' ' LEU . 3.4 tt -65.0 -28.87 45.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.211 -0.45 . . . . 1.1799999999999999 110.719 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 933' ' ' LYS . 0.3 OUTLIER -69.05 -47.61 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.523 -0.308 . . . . 1.8999999999999999 111.472 -178.486 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.436 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -64.39 -44.85 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 2.25 110.423 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.605 -0.271 . . . . 0.62 111.477 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.684 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.4 OUTLIER -57.08 -56.61 19.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.318 0.58 . . . . 0.85999999999999999 110.667 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.7 m -61.86 -41.01 97.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.06 -0.973 . . . . 0.87 111.373 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 1.4199999999999999 111.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' ' 943' ' ' VAL . 10.2 m-85 -83.16 -27.33 30.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.159 0.429 . . . . 1.5900000000000001 112.159 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.69 96.66 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.311 0.577 . . . . 0.60999999999999999 110.102 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 5.2 pt-20 -74.23 -26.97 60.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.868 -0.605 . . . . 1.8700000000000001 110.35 177.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 5.6 ttt180 -69.08 -48.48 62.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 3.1099999999999999 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 939' ' ' TYR . 5.7 m -65.14 -33.87 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.75 110.386 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -65.26 -43.06 92.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 3.5800000000000001 110.459 175.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.6 mtmm -64.32 -45.67 86.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 2.7799999999999998 110.915 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.8 m -63.57 -41.03 98.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 1.3400000000000001 111.935 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -76.07 -23.22 55.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.951 0.405 . . . . 3.5299999999999998 111.063 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.11 -43.34 57.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.946 -0.57 . . . . 2.6400000000000001 109.782 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-N 115.292 -0.867 . . . . 5.0899999999999999 111.113 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.927 0.394 . . . . 7.0099999999999998 110.154 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -163.06 123.95 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.138 -0.483 . . . . 5.3499999999999996 111.196 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 20.3 t -125.69 65.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.715 . . . . 5.29 109.071 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.36 92.82 3.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 4.7199999999999998 110.44 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -141.29 154.75 45.89 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.105 -0.498 . . . . 4.7400000000000002 110.375 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.64 -71.8 0.23 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.652 -0.704 . . . . 4.8600000000000003 109.118 174.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 8.1 t0 10.42 64.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 O-C-N 125.363 1.664 . . . . 5.0800000000000001 113.592 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -120.2 65.31 0.83 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.929 -0.578 . . . . 3.9900000000000002 110.657 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 3.3 ttm -86.38 106.2 17.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.756 -0.656 . . . . 1.8999999999999999 109.608 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.507 ' CG ' ' HA ' ' A' ' 869' ' ' ILE . 0.7 OUTLIER -91.22 124.46 35.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.286 0.565 . . . . 1.9299999999999999 110.643 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.2 mm -112.97 132.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.216 -0.902 . . . . 0.46999999999999997 109.615 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.634 ' HB2' HG21 ' A' ' 869' ' ' ILE . 22.1 tp -100.99 111.66 23.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.676 0.274 . . . . 1.3700000000000001 110.895 -176.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 873' ' ' LEU . 1.5 m -92.5 95.59 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.54 . . . . 1.0600000000000001 109.812 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.21 82.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 1.0700000000000001 110.924 -176.001 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.511 ' OD2' ' HB2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -104.53 138.75 40.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.918 0.389 . . . . 1.3 110.731 -176.37 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -18.6 35.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.832 -0.622 . . . . 2.0299999999999998 112.234 -175.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 3.0 m80 -128.61 102.04 20.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 121.91 -0.494 . . . . 2.1200000000000001 110.946 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 7.9 Cg_exo -30.21 -41.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.807 1 C-N-CA 126.901 5.068 . . . . 1.1200000000000001 117.184 -165.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -34.89 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 117.93 0.332 . . . . 2.2599999999999998 111.636 -175.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.17 -25.24 29.73 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.465 -0.494 . . . . 1.8300000000000001 111.205 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 5.5 ttp-105 -62.2 -53.35 56.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 2.7799999999999998 110.4 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.42 91.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.813 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 839' ' ' LEU . 2.1 mt -65.95 -41.59 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 1.1399999999999999 110.784 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.461 HD11 HD13 ' A' ' 932' ' ' ILE . 15.9 tp -66.47 -37.53 85.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 1.4299999999999999 110.433 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.65 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.59999999999999998 110.537 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.09 -45.5 81.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 1.3400000000000001 109.793 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.602 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -63.47 -40.81 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.706 -0.679 . . . . 1.8500000000000001 110.572 177.342 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.9 tp -62.87 -32.35 73.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 1.24 110.694 176.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.43 91.44 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.825 -0.625 . . . . 0.52000000000000002 111.977 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.69999999999999996 110.226 175.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -34.3 67.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.882 -0.599 . . . . 1.5600000000000001 110.182 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 83.71 25.28 46.8 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.624 -0.717 . . . . 0.62 112.243 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' TYR . . . . . 0.425 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 0.6 OUTLIER -99.77 167.54 10.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 1.22 111.399 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.55 127.05 31.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.845 -0.616 . . . . 2.3799999999999999 110.785 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.7 m -105.66 119.12 38.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.151 -0.477 . . . . 0.93999999999999995 110.625 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -110.86 116.52 31.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 1.4399999999999999 109.672 177.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 129.17 35.83 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.452 0.538 . . . . 0.62 112.452 -172.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.765 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -156.78 163.81 38.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.457 -0.942 . . . . 0.46999999999999997 108.457 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -146.85 70.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.292 -0.963 . . . . 1.8999999999999999 112.712 -171.435 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.64 158.23 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.399 1.062 . . . . 1.45 109.504 171.529 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -65.07 -45.9 90.42 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.24 -0.505 . . . . 0.57999999999999996 113.246 -176.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 34.9 m -74.74 -29.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 117.195 0.497 . . . . 0.94999999999999996 112.006 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.15 -28.02 69.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.889 0.376 . . . . 0.83999999999999997 110.444 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -61.11 -38.02 84.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.51000000000000001 110.132 173.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 890' ' ' ILE . 3.2 mm? -67.82 -40.32 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 1.8500000000000001 110.215 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.86 -53.37 59.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.609 -0.723 . . . . 1.72 110.545 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 869' ' ' ILE . 12.0 p -67.55 -32.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.261 -0.427 . . . . 0.89000000000000001 110.716 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.1 OUTLIER -63.11 -40.17 96.83 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.954 0.407 . . . . 1.6599999999999999 110.519 176.198 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 12.8 m -69.24 -27.31 65.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.452 . . . . 0.81999999999999995 110.555 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -45.45 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 3.46 111.551 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.33 146.32 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 1.8600000000000001 110.774 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.07 112.39 9.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.279 0.561 . . . . 3.1200000000000001 111.255 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.634 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -96.43 145.37 8.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.076 -1.083 . . . . 1.0600000000000001 108.076 168.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 870' ' ' ASP . . . . . 0.45 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.2 m-20 -90.18 -47.13 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.843 -0.343 . . . . 1.6399999999999999 111.535 -173.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.669 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.4 mm -122.24 122.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.849 -0.426 . . . . 1.03 109.849 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.07 124.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.955 -0.298 . . . . 0.67000000000000004 110.781 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.803 -0.443 . . . . 0.87 109.803 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.58 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.72999999999999998 110.673 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.657 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 61.8 t0 -102.98 120.07 39.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.38 -0.827 . . . . 1.3400000000000001 110.456 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.5 118.4 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.235 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.505 ' HA ' ' HB3' ' A' ' 904' ' ' ALA . 19.0 t-20 -101.68 -14.35 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.122 0.487 . . . . 2.5499999999999998 110.103 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.449 ' HA ' ' HD3' ' A' ' 879' ' ' PRO . 6.4 ttp -84.16 109.88 22.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 3.6600000000000001 110.35 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 878' ' ' MET . 4.8 Cg_exo -78.13 65.22 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.387 2.724 . . . . 3.48 112.45 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -101.1 -178.24 3.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 4.8700000000000001 109.655 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 10.3 mtm -84.83 30.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 5.5800000000000001 110.079 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.64 -24.27 12.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 4.9900000000000002 110.34 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -56.15 150.32 24.69 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 110.523 -1.031 . . . . 3.04 110.523 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 1.058 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER 65.75 -56.35 0.34 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.415 0.626 . . . . 2.8399999999999999 111.123 -168.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -59.21 -27.38 65.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.675 -0.693 . . . . 3.3599999999999999 112.231 -168.111 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.508 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.2 OUTLIER -72.82 -26.46 61.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.535 1.159 . . . . 2.3399999999999999 108.58 -171.243 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 887' ' ' THR . . . . . 1.081 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 56.7 m -84.89 -24.67 28.4 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 113.953 -1.476 . . . . 1.28 108.843 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 11.8 tm0? -56.84 -39.71 74.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.116 -0.698 . . . . 2.1699999999999999 109.116 169.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 889' ' ' ARG . 0.0 OUTLIER -58.38 -43.95 88.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.512 -0.767 . . . . 2.3599999999999999 109.95 170.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.932 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.3 OUTLIER -53.8 -41.32 47.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.921 0.391 . . . . 1.71 110.68 175.014 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 2.2400000000000002 110.992 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.73 -40.05 82.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 2.6200000000000001 110.535 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -49.45 33.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.806 -0.634 . . . . 1.9099999999999999 110.194 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.78 92.18 2.25 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.082 -0.807 . . . . 1.1200000000000001 111.082 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.698 HD13 ' HG ' ' A' ' 897' ' ' LEU . 0.5 OUTLIER -88.49 155.04 19.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.383 0.611 . . . . 2.8900000000000001 111.74 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.5 t -124.95 13.19 8.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 2.4900000000000002 109.51 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -139.2 159.67 65.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.11 -0.95 . . . . 1.3999999999999999 110.263 -174.067 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.65 139.02 12.33 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 123.104 2.536 . . . . 0.72999999999999998 113.117 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.775 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 68.2 t -112.73 122.31 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.437 0.636 . . . . 0.64000000000000001 110.821 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 0.0 OUTLIER -100.92 112.78 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.685 -0.689 . . . . 0.64000000000000001 109.198 174.072 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.37 104.37 3.16 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.519 -0.848 . . . . 0.47999999999999998 112.576 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.2 t -79.62 94.23 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.812 . . . . 1.04 108.806 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 0.6 OUTLIER -107.88 130.9 54.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.051 0.453 . . . . 0.89000000000000001 112.167 -171.249 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -119.14 128.81 54.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.816 -0.629 . . . . 1.1899999999999999 109.842 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 65.84 22.61 11.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.194 0.521 . . . . 2.7000000000000002 111.33 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 903' ' ' THR . . . -113.69 90.87 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 2.8100000000000001 109.984 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 168.71 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 3.9300000000000002 111.118 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 60.96 34.14 19.54 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.415 0.626 . . . . 2.0899999999999999 109.796 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -70.9 -26.22 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.057 -0.974 . . . . 3.3100000000000001 111.622 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.76 -48.29 69.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.244 -0.65 . . . . 3.5800000000000001 109.244 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -35.32 78.54 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.509 -0.769 . . . . 2.29 110.818 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 1.058 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -68.69 -36.94 79.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.472 -0.491 . . . . 2.6499999999999999 109.855 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.483 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -61.51 -31.53 71.53 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.647 0.592 . . . . 4.0499999999999998 110.457 177.793 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.24 -34.68 59.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.247 -0.433 . . . . 1.6499999999999999 110.722 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.31 -51.88 21.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 1.8799999999999999 111.956 -178.037 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 1.081 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -77.16 -31.77 55.77 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.984 -0.376 . . . . 3.4700000000000002 109.984 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.61 51.58 15.78 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.648 0.981 . . . . 1.3500000000000001 113.648 172.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -143.64 -2.94 0.87 Allowed Glycine 0 C--N 1.317 -0.492 0 C-N-CA 119.548 -1.31 . . . . 1.02 112.765 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.775 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.0 OUTLIER -77.92 -128.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 2.0099999999999998 111.552 -175.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 919' ' ' MET . 6.6 t70 173.77 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.512 -0.921 . . . . 1.26 108.512 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 11.4 m -142.03 140.47 32.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.688 -0.687 . . . . 1.26 110.336 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 140.27 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.429 -0.35 . . . . 1.1299999999999999 110.797 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.472 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -134.96 -179.65 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.68999999999999995 110.333 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.549 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -106.54 158.95 16.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.975 -0.557 . . . . 0.89000000000000001 110.147 179.179 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.699 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.9 tptt -52.18 -48.85 87.63 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.764 0.653 . . . . 1.1100000000000001 112.764 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 8.2 Cg_exo -73.29 70.02 3.97 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.038 1.825 . . . . 1.01 112.565 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.21 117.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.532 . . . . 1.3600000000000001 110.792 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.02 157.45 25.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.92000000000000004 110.918 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -53.51 -46.54 70.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.92000000000000004 111.378 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 930' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 1.7 t0 -75.0 -27.31 60.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.831 -0.348 . . . . 1.8500000000000001 111.406 -176.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.67 -47.63 75.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 0.93000000000000005 109.237 176.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -68.55 -21.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 1.1799999999999999 110.521 176.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -68.93 -43.23 75.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 1.8999999999999999 111.051 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.484 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.03 -42.33 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.305 -0.558 . . . . 2.25 110.08 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.57 82.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.62 111.207 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.03 -49.93 75.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.85999999999999999 110.706 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 87.3 m -62.27 -44.25 96.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.106 -0.497 . . . . 0.87 111.285 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 3.2 tp -65.81 -38.85 90.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 1.4199999999999999 111.048 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.675 ' HA ' ' HD2' ' A' ' 942' ' ' ARG . 3.8 m-30 -72.24 -41.69 66.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.379 -0.373 . . . . 1.5900000000000001 110.8 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.71 95.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.60999999999999999 111.307 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -68.71 -39.09 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.808 -0.357 . . . . 1.8700000000000001 110.268 178.41 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.675 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -68.1 -40.89 82.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.394 -0.366 . . . . 3.1099999999999999 111.32 -176.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.34 -30.28 30.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.75 110.345 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.12 98.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.735 -0.468 . . . . 3.5800000000000001 109.735 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -64.91 -43.81 91.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.582 . . . . 2.7799999999999998 110.077 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.8 m -63.95 -17.54 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.114 -0.493 . . . . 1.3400000000000001 111.937 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -30.48 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.576 0.227 . . . . 3.5299999999999998 111.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 -38.73 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.568 -0.287 . . . . 2.6400000000000001 111.645 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.54 -0.743 . . . . 5.0899999999999999 110.638 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 110.003 -0.369 . . . . 7.0099999999999998 110.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -82.79 49.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 5.3499999999999996 111.313 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 43.8 t -136.34 108.4 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.266 -0.642 . . . . 5.29 109.266 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 11.6 p -141.82 -82.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.179 0.514 . . . . 4.7199999999999998 111.465 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -77.35 172.87 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 4.7400000000000002 111.495 -174.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -146.16 -22.01 0.44 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 4.8600000000000003 110.436 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 3.9 t0 54.11 60.04 3.85 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.559 0.695 . . . . 5.0800000000000001 109.928 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -78.67 60.95 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 3.9900000000000002 110.891 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.68 103.72 9.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 1.8999999999999999 110.627 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.473 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 17.3 mtm -94.39 124.02 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.513 -0.767 . . . . 1.9299999999999999 110.46 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.512 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.2 mm -116.62 137.18 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.548 -0.751 . . . . 0.46999999999999997 110.046 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.713 HD22 HD13 ' A' ' 869' ' ' ILE . 23.9 tp -106.63 107.5 18.54 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.276 -0.42 . . . . 1.3700000000000001 110.14 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.48 95.64 4.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 1.0600000000000001 110.194 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 854' ' ' ALA . 3.5 t -105.78 140.99 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 1.0700000000000001 109.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.747 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.39 149.01 20.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.111 -0.329 . . . . 1.3 110.111 173.463 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -16.71 34.69 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.224 0.453 . . . . 2.0299999999999998 112.224 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -118.31 90.15 37.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 119.824 -0.131 . . . . 2.1200000000000001 110.672 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -34.32 -35.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.829 1 C-N-CA 125.507 4.138 . . . . 1.1200000000000001 116.568 -168.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -58.09 -38.2 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.852 0.358 . . . . 2.2599999999999998 111.139 178.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.06 -27.8 30.02 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.211 -0.306 . . . . 1.8300000000000001 110.37 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 4.1 ttp180 -55.06 -49.05 72.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.233 0.54 . . . . 2.7799999999999998 110.375 172.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.3 OUTLIER -66.82 -36.54 82.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 2.75 110.616 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.09 73.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 1.1399999999999999 111.399 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.01 -41.83 97.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.4299999999999999 110.272 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.64 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.59999999999999998 110.887 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -48.4 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.329 0.585 . . . . 1.3400000000000001 110.232 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.61 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.62 -32.62 73.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 1.8500000000000001 110.45 178.44 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 851' ' ' CYS . 13.7 tp -65.67 -31.91 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 1.24 110.199 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.65 91.04 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.841 -0.618 . . . . 0.52000000000000002 111.788 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -35.31 75.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.769 0.319 . . . . 0.69999999999999996 110.214 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -50.13 44.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.056 0.455 . . . . 1.5600000000000001 110.462 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.33 22.66 21.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.86 -0.686 . . . . 0.62 112.952 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.51 175.86 6.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.006 -0.368 . . . . 1.22 110.006 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.6 OUTLIER -69.61 119.21 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.686 0.279 . . . . 2.3799999999999999 111.23 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.623 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -104.53 103.24 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.93999999999999995 110.936 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -105.07 113.51 27.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.887 -0.412 . . . . 1.4399999999999999 109.887 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.88 145.46 24.73 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.944 0.72 . . . . 0.62 112.944 -172.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.546 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -146.77 170.02 17.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.529 -1.285 . . . . 0.46999999999999997 107.529 171.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 2.0 p-10 -145.01 72.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.102 -1.039 . . . . 1.8999999999999999 112.991 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.614 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 4.4 t70 162.78 160.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.094 0.871 . . . . 1.45 109.264 172.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.579 ' O ' HD13 ' A' ' 886' ' ' LEU . . . -68.08 -49.85 44.25 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.502 -0.856 . . . . 0.57999999999999996 110.966 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -72.41 -28.47 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.576 0.226 . . . . 0.94999999999999996 110.905 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.2 t0 -58.39 -32.5 68.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.83999999999999997 110.453 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -63.81 -35.24 79.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.51000000000000001 110.672 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 861' ' ' LEU . 3.5 mm? -64.54 -39.52 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 1.8500000000000001 110.242 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -51.82 59.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 1.72 110.579 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 860' ' ' ALA . 9.0 p -67.1 -32.17 56.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.586 -0.279 . . . . 0.89000000000000001 111.349 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.61 -31.89 71.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.957 0.408 . . . . 1.6599999999999999 111.214 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 30.4 m -79.08 -21.04 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.908 0.385 . . . . 0.81999999999999995 110.769 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -43.18 13.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 3.46 111.019 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.08 150.0 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.469 -0.332 . . . . 1.8600000000000001 110.569 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.58 93.63 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.999 0.428 . . . . 3.1200000000000001 110.921 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.713 HD13 HD22 ' A' ' 828' ' ' LEU . 1.2 mp -81.04 155.81 4.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.241 -0.651 . . . . 1.0600000000000001 109.241 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -67.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.524 -0.47 . . . . 1.6399999999999999 111.034 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 48.8 mm -94.39 116.61 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.339 -0.391 . . . . 1.03 110.174 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.638 HG13 HD23 ' A' ' 828' ' ' LEU . 53.4 t -106.37 123.15 60.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.599 0.238 . . . . 0.67000000000000004 110.795 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 900' ' ' ILE . 1.1 mt -121.22 114.57 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.417 . . . . 0.87 109.942 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.523 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 6.4 p -111.04 107.3 16.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.743 0.306 . . . . 0.72999999999999998 110.387 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 60.6 t0 -92.23 121.31 33.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.791 -0.641 . . . . 1.3400000000000001 110.723 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.74 122.54 68.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.769 -0.65 . . . . 1.29 109.896 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -84.1 -21.89 31.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.697 0.761 . . . . 2.5499999999999998 109.5 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 28.4 ttm -128.53 117.36 19.85 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 114.84 -1.073 . . . . 3.6600000000000001 111.226 -170.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 60.8 Cg_endo -73.17 8.18 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.996 2.464 . . . . 3.48 112.267 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -88.67 -1.14 57.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 4.8700000000000001 110.999 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 1.2 ptp -131.06 -167.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 5.5800000000000001 111.231 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 885' ' ' ARG . 0.2 OUTLIER -73.32 76.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 4.9900000000000002 111.553 -174.396 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 886' ' ' LEU . . . -101.54 -86.4 1.93 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.892 -0.883 . . . . 3.04 110.892 172.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.644 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 1.1 p90 -46.27 -51.54 14.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.353 1.073 . . . . 2.8399999999999999 110.474 169.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.69 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.1 OUTLIER -58.43 -26.96 63.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.164 -1.38 . . . . 3.3599999999999999 111.58 -176.309 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 857' ' ' GLY . 0.3 OUTLIER -67.8 -27.17 66.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.274 -1.01 . . . . 2.3399999999999999 108.274 -175.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.907 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -80.23 -26.06 39.28 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 113.894 -1.503 . . . . 1.28 108.22 -178.561 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 3.6 tp-100 -62.84 -40.09 96.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 2.1699999999999999 109.416 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -36.9 83.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.3599999999999999 110.176 177.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' A' ' 895' ' ' LEU . 75.9 mt -62.14 -35.65 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.71 110.303 176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.702 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -65.13 -36.46 84.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 2.2400000000000002 110.519 176.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -76.74 -18.81 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.206 0.527 . . . . 2.6200000000000001 110.483 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -25.53 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 1.9099999999999999 110.432 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 83.15 80.37 1.0 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 1.1200000000000001 111.933 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' A' ' 890' ' ' ILE . 1.0 OUTLIER -73.43 142.41 46.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.09 0.471 . . . . 2.8900000000000001 111.257 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 20.71 6.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.668 -0.696 . . . . 2.4900000000000002 109.525 174.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.6 160.66 55.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.16 -0.927 . . . . 1.3999999999999999 110.209 -172.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.6 113.18 3.72 Favored 'Trans proline' 0 C--O 1.24 0.575 0 C-N-CA 122.711 2.274 . . . . 0.72999999999999998 112.262 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.748 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 32.6 t -99.09 110.08 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.303 0.573 . . . . 0.64000000000000001 110.048 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 873' ' ' LEU . 0.7 OUTLIER -101.79 107.37 21.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.395 0.617 . . . . 0.64000000000000001 109.829 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.66 101.64 2.66 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.504 -0.771 . . . . 0.47999999999999998 112.616 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 30.5 t -75.84 121.08 26.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.527 -0.916 . . . . 1.04 108.527 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -134.29 139.66 45.86 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.663 -0.415 . . . . 0.89000000000000001 111.661 -173.136 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -105.37 104.14 13.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 1.1899999999999999 110.049 173.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 50.03 67.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.627 -0.715 . . . . 2.7000000000000002 111.812 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -89.43 5.58 44.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.395 -0.366 . . . . 2.8100000000000001 110.256 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.7 mt 59.76 83.48 0.13 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.337 -0.847 . . . . 3.9300000000000002 110.797 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 65.16 52.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.586 -0.734 . . . . 2.0899999999999999 110.413 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.821 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 1.5 pm0 -57.37 -22.84 45.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.565 -0.743 . . . . 3.3100000000000001 111.576 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -58.77 -48.21 82.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 3.5800000000000001 110.354 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.72 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 2.29 110.375 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.644 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.0 mp0 -64.22 -40.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 2.6499999999999999 110.253 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -59.94 -39.83 86.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 4.0499999999999998 110.744 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 33.5 m -73.05 -32.42 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 1.6499999999999999 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -47.58 59.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.007 -0.542 . . . . 1.8799999999999999 111.123 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.907 ' HB2' HG22 ' A' ' 887' ' ' THR . 24.7 mm-40 -78.04 -24.18 47.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.007 0.432 . . . . 3.4700000000000002 110.313 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 917' ' ' SER . . . . . 0.702 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER 51.21 50.98 17.9 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.937 1.088 . . . . 1.3500000000000001 113.937 170.576 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.39 26.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.682 -0.77 . . . . 1.02 112.543 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.748 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.2 ttm -113.81 -110.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.963 0.411 . . . . 2.0099999999999998 111.544 -173.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 919' ' ' MET . 10.0 t70 163.73 -60.17 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.761 -1.2 . . . . 1.26 107.761 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.11 163.71 36.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.028 -0.987 . . . . 1.26 109.601 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 139.99 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 1.1299999999999999 110.927 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 902' ' ' VAL . 1.7 mt -122.59 -175.14 3.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 0.68999999999999995 109.522 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.5 m -111.27 151.2 28.6 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.563 -0.162 . . . . 0.89000000000000001 110.563 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.702 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 4.6 tttp -47.97 -42.53 49.04 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.436 0.902 . . . . 1.1100000000000001 113.436 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.6 Cg_endo -65.13 61.45 0.32 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.172 1.915 . . . . 1.01 113.574 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.63 81.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.587 -0.523 . . . . 1.3600000000000001 109.587 173.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -176.82 3.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 0.92000000000000004 110.588 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -29.81 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.311 0.576 . . . . 0.92000000000000004 109.613 175.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -68.06 -61.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 1.8500000000000001 109.884 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.68 -43.14 86.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.579 -0.737 . . . . 0.93000000000000005 111.587 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 936' ' ' LEU . 3.0 tt -68.44 -32.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.925 0.343 . . . . 1.1799999999999999 111.925 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -44.84 37.4 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 1.8999999999999999 111.844 -176.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -42.9 98.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.41 -0.516 . . . . 2.25 110.029 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.4 m -67.69 -50.2 58.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.62 111.509 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.62 -50.31 73.09 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.751 -0.204 . . . . 0.85999999999999999 111.286 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 11.6 m -61.69 -44.2 97.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.469 -0.332 . . . . 0.87 111.689 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -69.43 -36.05 76.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.731 0.301 . . . . 1.4199999999999999 111.294 -177.146 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 943' ' ' VAL . 12.4 m-85 -81.16 -32.19 33.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.818 -0.353 . . . . 1.5900000000000001 111.461 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.03 0.443 . . . . 0.60999999999999999 110.667 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.8 OUTLIER -71.73 -34.05 69.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.573 -0.451 . . . . 1.8700000000000001 110.307 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.589 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.58 -42.93 91.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.684 -0.234 . . . . 3.1099999999999999 111.251 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 17.2 m -72.71 -30.66 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.585 -0.446 . . . . 0.75 110.566 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -70.21 -43.74 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 3.5800000000000001 111.071 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -73.32 -33.87 65.39 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.001 -0.28 . . . . 2.7799999999999998 111.092 -179.526 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 34.1 m -73.69 -19.04 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 1.3400000000000001 110.857 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -83.87 -56.66 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 3.5299999999999998 110.269 176.521 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.8 t0 57.78 85.39 0.09 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 124.037 0.836 . . . . 2.6400000000000001 111.558 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-N 115.508 -0.769 . . . . 5.0899999999999999 109.795 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.7 mptt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.991 -0.374 . . . . 7.0099999999999998 109.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -153.05 -178.44 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.372 -0.376 . . . . 5.3499999999999996 110.977 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.27 119.29 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.399 -0.593 . . . . 5.29 109.399 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 105.57 10.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.109 -0.496 . . . . 4.7199999999999998 110.404 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -88.75 122.61 32.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.021 -0.536 . . . . 4.7400000000000002 110.179 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -70.19 -84.48 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.784 0.802 . . . . 4.8600000000000003 110.492 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -173.85 100.32 0.11 Allowed 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 113.738 -1.574 . . . . 5.0800000000000001 108.435 -175.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -69.85 -5.23 24.31 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.577 -1.192 . . . . 3.9900000000000002 112.258 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' MET . . . . . 0.577 ' SD ' ' HB1' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -142.81 119.83 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 1.8999999999999999 111.132 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.4 ptp -113.94 122.57 47.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.144 0.497 . . . . 1.9299999999999999 110.596 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 2.7 mm -119.09 140.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.478 -0.783 . . . . 0.46999999999999997 110.074 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.892 ' HB2' HG21 ' A' ' 869' ' ' ILE . 11.6 tp -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.3700000000000001 110.938 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.471 HG13 HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.2 98.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.444 0.64 . . . . 1.0600000000000001 109.904 176.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 854' ' ' ALA . 21.0 t -109.62 143.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.53 -0.759 . . . . 1.0700000000000001 110.106 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.49 146.04 18.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.056 -0.72 . . . . 1.3 109.056 171.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -13.29 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.529 0.566 . . . . 2.0299999999999998 112.529 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.9 OUTLIER -130.95 92.97 32.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 O-C-N 122.198 -0.314 . . . . 2.1200000000000001 110.744 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 67.6 Cg_exo -22.86 -44.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 1 C-N-CA 127.257 5.305 . . . . 1.1200000000000001 118.02 -167.198 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.7 OUTLIER -55.31 -37.04 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 117.994 0.361 . . . . 2.2599999999999998 111.958 -175.511 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -75.05 -39.46 60.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.904 -0.318 . . . . 1.8300000000000001 110.18 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.883 ' HD3' ' HB ' ' A' ' 853' ' ' THR . 6.9 ttm180 -58.07 -47.66 82.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 2.7799999999999998 111.535 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -67.95 -35.32 78.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 2.75 111.14 -177.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.35 75.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.071 0.463 . . . . 1.1399999999999999 110.384 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 932' ' ' ILE . 14.7 tp -63.27 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 1.4299999999999999 110.533 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.45 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.59999999999999998 111.36 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.54 -44.2 75.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 1.3400000000000001 109.777 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -61.81 -49.63 75.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.405 -0.816 . . . . 1.8500000000000001 110.394 177.174 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 42.6 tp -60.21 -41.59 93.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.929 -0.578 . . . . 1.24 111.066 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.78 -33.75 88.09 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.976 -0.63 . . . . 0.52000000000000002 112.205 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 21.9 m -68.63 -26.99 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.319 . . . . 0.69999999999999996 111.026 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' A' ' 936' ' ' LEU . 17.7 mt -71.27 -36.81 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 1.5600000000000001 110.58 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 113.35 33.35 1.96 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.643 -0.789 . . . . 0.62 112.362 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -119.31 160.24 22.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.057 -0.349 . . . . 1.22 110.057 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 116.25 23.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 2.3799999999999999 110.271 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 108.67 20.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.93999999999999995 111.614 -176.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.465 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.1 OUTLIER -98.36 113.76 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.135 -0.691 . . . . 1.4399999999999999 109.135 174.551 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.883 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 25.5 p -90.84 149.13 22.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.218 0.533 . . . . 0.62 112.052 -171.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.667 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.7 172.48 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.284 -0.871 . . . . 0.46999999999999997 109.393 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.59 70.54 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.158 -0.617 . . . . 1.8999999999999999 112.104 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t70 161.39 166.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.288 1.035 . . . . 1.45 109.593 170.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.528 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -75.41 -42.55 27.4 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.602 -0.809 . . . . 0.57999999999999996 111.123 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.425 HG22 ' OD1' ' A' ' 856' ' ' ASP . 14.9 m -73.29 -28.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.94999999999999996 110.677 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.8 t0 -55.45 -41.41 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.308 0.575 . . . . 0.83999999999999997 109.88 172.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.378 -0.828 . . . . 0.51000000000000001 110.96 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 890' ' ' ILE . 2.8 mm? -57.78 -44.28 86.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.095 0.474 . . . . 1.8500000000000001 110.948 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.67 -52.54 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.642 -0.708 . . . . 1.72 111.064 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.717 ' HA ' ' HE2' ' A' ' 866' ' ' LYS . 13.5 p -65.83 -32.83 59.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.89000000000000001 111.043 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 872' ' ' VAL . 7.8 mt -65.03 -34.57 78.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.864 0.364 . . . . 1.6599999999999999 110.981 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.5 m -70.58 -35.23 72.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.81999999999999995 110.642 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 863' ' ' VAL . 27.3 mtmt -80.03 -30.64 39.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.15 -0.477 . . . . 3.46 111.439 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -154.39 136.17 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 1.8600000000000001 110.353 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -78.06 97.37 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.119 0.485 . . . . 3.1200000000000001 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.892 HG21 ' HB2' ' A' ' 828' ' ' LEU . 3.3 mp -75.91 132.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 107.445 -1.317 . . . . 1.0600000000000001 107.445 165.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.41 -39.87 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.284 -0.567 . . . . 1.6399999999999999 111.626 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 940' ' ' ALA . 7.8 mt -131.32 131.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.282 -0.266 . . . . 1.03 110.282 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 864' ' ' LEU . 53.9 t -115.07 124.22 71.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.571 -0.286 . . . . 0.67000000000000004 110.829 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -114.98 111.39 21.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.914 -0.402 . . . . 0.87 109.914 176.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.508 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -105.99 110.62 22.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.986 0.422 . . . . 0.72999999999999998 110.629 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 52.0 t0 -94.94 125.75 39.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.689 . . . . 1.3400000000000001 110.54 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 878' ' ' MET . 3.3 t -117.64 126.14 74.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.128 -0.487 . . . . 1.29 110.41 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.593 ' HB2' ' HE2' ' A' ' 925' ' ' LYS . 0.0 OUTLIER -90.74 -13.62 33.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 2.5499999999999998 109.842 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.504 ' H ' HG12 ' A' ' 876' ' ' VAL . 2.0 tpt -112.99 95.47 34.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 3.6600000000000001 111.656 -174.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.446 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 57.2 Cg_endo -72.35 -8.65 23.06 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.702 2.268 . . . . 3.48 111.966 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -85.11 1.81 46.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 4.8700000000000001 110.405 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.503 ' HB3' ' H ' ' A' ' 882' ' ' ASP . 0.4 OUTLIER -128.49 -138.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 5.5800000000000001 110.778 -177.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.503 ' H ' ' HB3' ' A' ' 881' ' ' MET . 50.4 t0 -102.43 120.92 41.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 4.9900000000000002 112.211 -173.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.498 ' HA2' HG21 ' A' ' 876' ' ' VAL . . . -135.24 7.23 4.36 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.629 -0.988 . . . . 3.04 110.629 170.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 1.062 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.8 p90 -128.05 -53.08 1.31 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.878 0.846 . . . . 2.8399999999999999 111.518 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.649 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.29 -27.4 62.11 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.939 -1.028 . . . . 3.3599999999999999 110.535 -168.326 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.596 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -29.24 70.06 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.692 0.758 . . . . 2.3399999999999999 109.871 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 887' ' ' THR . . . . . 1.064 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 87.4 m -85.35 -24.88 27.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.088 -0.96 . . . . 1.28 109.046 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 22.7 tt0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.915 -0.772 . . . . 2.1699999999999999 108.915 170.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -30.78 63.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.153 -0.931 . . . . 2.3599999999999999 110.209 173.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.62 ' HB ' ' HA ' ' A' ' 887' ' ' THR . 1.0 OUTLIER -60.56 -46.97 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.35 -0.386 . . . . 1.71 110.938 176.292 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.8 OUTLIER -69.65 -30.67 68.41 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.699 -0.4 . . . . 2.2400000000000002 110.395 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -39.63 87.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.246 0.546 . . . . 2.6200000000000001 110.572 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -46.79 33.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 1.9099999999999999 110.39 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 128.54 83.35 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.328 -0.709 . . . . 1.1200000000000001 111.328 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 138.53 57.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.174 0.512 . . . . 2.8900000000000001 111.381 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.29 33.77 1.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.723 -0.671 . . . . 2.4900000000000002 109.767 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.52 155.62 13.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 1.3999999999999999 110.214 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.01 131.59 13.31 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 123.058 2.505 . . . . 0.72999999999999998 112.398 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.714 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.8 t -108.66 128.64 64.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.115 -0.493 . . . . 0.64000000000000001 110.073 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 55.0 mt -117.41 112.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.835 -0.621 . . . . 0.64000000000000001 109.766 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.3 115.65 4.97 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.65 -0.786 . . . . 0.47999999999999998 112.573 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -85.58 125.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.023 -1.103 . . . . 1.04 108.023 173.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 909' ' ' GLU . 4.1 p -137.91 148.6 45.47 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.442 -0.503 . . . . 0.89000000000000001 111.938 -169.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.01 102.96 9.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.294 -0.412 . . . . 1.1899999999999999 110.413 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 47.66 54.97 9.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.355 -0.839 . . . . 2.7000000000000002 112.188 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.683 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -89.52 51.66 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.158 -0.474 . . . . 2.8100000000000001 110.723 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.455 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.82 -102.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.461 -0.791 . . . . 3.9300000000000002 110.303 -177.383 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.455 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -120.7 92.19 3.71 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.21 -0.663 . . . . 2.0899999999999999 109.21 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.683 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 41.6 mp0 -60.44 -35.7 76.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.084 -0.507 . . . . 3.3100000000000001 111.404 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -65.38 -27.88 68.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.99 0.424 . . . . 3.5800000000000001 110.124 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -36.02 57.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.953 -0.567 . . . . 2.29 110.59 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 1.062 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -75.06 -29.78 60.83 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.689 -0.804 . . . . 2.6499999999999999 109.562 176.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.491 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 9.3 ttp85 -62.55 -36.25 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.367 0.603 . . . . 4.0499999999999998 109.888 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 96.9 m -74.2 -30.62 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 1.6499999999999999 110.299 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.0 OUTLIER -70.76 -52.57 19.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 1.8799999999999999 111.398 -178.426 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 1.064 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.41 -26.38 41.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.497 -0.32 . . . . 3.4700000000000002 110.734 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.5 50.26 17.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.87 1.063 . . . . 1.3500000000000001 113.87 173.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.408 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -148.36 -16.35 0.11 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.487 -1.34 . . . . 1.02 114.216 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.717 ' O ' ' HB2' ' A' ' 920' ' ' ASP . 4.9 mmt -62.82 -111.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.46 0.541 . . . . 2.0099999999999998 112.46 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.717 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.1 t0 153.79 -58.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.439 1.096 . . . . 1.26 109.608 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.51 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.7 OUTLIER -125.63 150.43 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 1.26 110.44 -178.508 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.36 132.78 36.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.23 -0.441 . . . . 1.1299999999999999 109.933 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 178.73 6.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.68999999999999995 110.639 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 159.53 15.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.191 -0.459 . . . . 0.89000000000000001 110.131 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.593 ' HE2' ' HB2' ' A' ' 877' ' ' ASN . 1.0 OUTLIER -59.33 -48.42 96.09 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.702 0.63 . . . . 1.1100000000000001 112.702 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.4 Cg_exo -74.69 68.41 5.48 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.241 1.96 . . . . 1.01 112.684 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.44 116.18 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.181 -0.463 . . . . 1.3600000000000001 110.521 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 176.7 9.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.191 -0.459 . . . . 0.92000000000000004 111.759 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -56.2 -46.96 79.23 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.271 -0.422 . . . . 0.92000000000000004 111.458 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.59 -37.92 49.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.713 -0.395 . . . . 1.8500000000000001 111.791 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.2 -44.67 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.394 0.616 . . . . 0.93000000000000005 109.754 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.845 HG23 HD23 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -61.74 -38.45 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.346 -0.843 . . . . 1.1799999999999999 109.686 174.36 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -63.23 -48.72 77.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 1.8999999999999999 112.027 -176.854 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -47.28 84.57 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.69 -0.404 . . . . 2.25 110.869 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 5.2 m -65.11 -44.31 89.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.62 111.518 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.845 HD23 HG23 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -64.15 -57.4 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.85999999999999999 111.473 -178.496 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 937' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 941' ' ' GLU . 11.2 m -56.87 -46.01 82.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 0.87 111.389 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.5 OUTLIER -58.78 -53.01 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.472 -0.331 . . . . 1.4199999999999999 111.369 -177.596 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.502 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.4 OUTLIER -75.12 -46.97 30.96 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.926 0.343 . . . . 1.5900000000000001 111.926 -174.391 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 871' ' ' ILE . . . -62.52 -42.11 99.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.60999999999999999 111.512 -176.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 937' ' ' THR . 0.0 OUTLIER -74.64 -29.96 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.785 -0.366 . . . . 1.8700000000000001 110.263 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 938' ' ' LEU . 0.0 OUTLIER -63.77 -47.56 80.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.701 -0.227 . . . . 3.1099999999999999 110.422 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 939' ' ' TYR . 1.7 m -69.48 -39.07 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.683 -0.407 . . . . 0.75 110.375 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 944' ' ' ARG . 2.4 ttp180 -61.6 -48.58 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 3.5800000000000001 110.961 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -18.38 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.756 -0.202 . . . . 2.7799999999999998 111.519 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 70.4 m -69.61 -40.26 76.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 1.3400000000000001 110.354 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 947' ' ' ARG . 2.9 mpt_? -82.73 -27.04 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 3.5299999999999998 110.243 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.1 t0 71.86 168.69 0.31 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.107 -0.951 . . . . 2.6400000000000001 111.013 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.871 -0.585 . . . . 5.0899999999999999 110.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 17.1 mttt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.906 -0.405 . . . . 7.0099999999999998 109.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -95.27 119.56 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 5.3499999999999996 111.035 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.26 109.52 21.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.151 -0.477 . . . . 5.29 109.831 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.47 121.12 31.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 4.7199999999999998 110.576 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -153.72 -176.9 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 4.7400000000000002 110.718 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' ASN . . . . . 0.407 ' HB3' ' H ' ' A' ' 823' ' ' ASP . 0.2 OUTLIER -178.93 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.394 -0.821 . . . . 4.8600000000000003 109.325 176.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 850' ' ' GLN . 0.5 OUTLIER -156.02 -44.3 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.054 -0.975 . . . . 5.0800000000000001 108.766 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 18.5 t70 75.28 -58.72 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.515 -1.22 . . . . 3.9900000000000002 110.297 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.19 119.45 21.87 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.816 -0.629 . . . . 1.8999999999999999 110.283 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.485 ' HG3' ' HA ' ' A' ' 869' ' ' ILE . 11.0 ptp -111.9 122.07 46.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.526 0.679 . . . . 1.9299999999999999 110.213 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.741 HG23 ' HB ' ' A' ' 871' ' ' ILE . 4.6 mm -107.86 138.76 32.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.903 -1.044 . . . . 0.46999999999999997 109.506 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 830' ' ' VAL . 39.0 tp -95.14 108.79 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.077 0.465 . . . . 1.3700000000000001 110.672 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.411 HG12 ' HG ' ' A' ' 840' ' ' LEU . 0.1 OUTLIER -98.63 95.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.505 -0.771 . . . . 1.0600000000000001 110.009 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.853 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.16 142.13 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.472 -0.785 . . . . 1.0700000000000001 109.886 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -150.77 151.98 33.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.28 -0.267 . . . . 1.3 110.28 176.176 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -17.44 20.6 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.864 0.364 . . . . 2.0299999999999998 111.661 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.06 88.06 44.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 122.302 -0.249 . . . . 2.1200000000000001 110.431 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -25.27 -45.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 1 C-N-CA 126.51 4.806 . . . . 1.1200000000000001 117.538 -166.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -30.43 41.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.87 0.367 . . . . 2.2599999999999998 111.585 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.34 -33.47 43.01 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 110.268 -0.271 . . . . 1.8300000000000001 110.268 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.1 ttp180 -57.43 -40.69 78.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.17 0.51 . . . . 2.7799999999999998 110.37 171.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -58.79 -46.6 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 2.75 110.447 178.114 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.559 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -72.89 -37.34 67.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 1.1399999999999999 111.164 -177.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.411 ' HG ' HG12 ' A' ' 829' ' ' VAL . 20.9 tp -65.81 -41.82 91.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.654 -0.703 . . . . 1.4299999999999999 110.674 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.96 62.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.556 . . . . 0.59999999999999998 110.732 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.22 -46.72 69.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.673 -0.491 . . . . 1.3400000000000001 109.673 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.658 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -60.02 -44.43 94.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 1.8500000000000001 110.314 176.552 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.74 -41.81 99.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 1.24 110.74 178.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -64.38 -29.74 75.91 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.52000000000000002 112.278 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 16.4 m -70.08 -29.69 66.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.69999999999999996 110.151 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.602 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -69.16 -28.99 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 1.5600000000000001 110.129 175.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.99 0.67 61.8 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.797 -0.638 . . . . 0.62 112.662 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -93.76 165.15 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.762 0.315 . . . . 1.22 110.908 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.548 ' HB2' ' HB3' ' A' ' 823' ' ' ASP . 4.1 tp-100 -68.27 120.23 14.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.554 . . . . 2.3799999999999999 110.171 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 109.84 21.91 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.237 -0.438 . . . . 0.93999999999999995 110.523 -177.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.418 ' O ' HD12 ' A' ' 828' ' ' LEU . 4.2 mptt -98.09 110.67 23.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.499 -0.556 . . . . 1.4399999999999999 109.499 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.9 133.43 37.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.62 112.202 -173.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.853 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -139.1 179.1 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.42 -0.809 . . . . 0.46999999999999997 109.077 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -140.53 75.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.047 -0.661 . . . . 1.8999999999999999 112.388 -169.624 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.721 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 2.3 t70 164.22 -176.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.077 0.86 . . . . 1.45 109.946 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.95 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -97.28 -41.42 3.46 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.407 -1.077 . . . . 0.57999999999999996 110.407 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.72 -30.98 30.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.94999999999999996 110.244 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.721 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -60.5 -32.34 71.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.83999999999999997 110.404 179.284 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -58.99 -40.74 85.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.555 -0.748 . . . . 0.51000000000000001 110.869 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.764 HD11 HD23 ' A' ' 893' ' ' LEU . 5.3 tp -75.04 -37.03 61.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.258 -0.428 . . . . 1.8500000000000001 110.601 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.41 -48.2 76.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.163 0.506 . . . . 1.72 110.76 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.92 -30.46 50.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.491 . . . . 0.89000000000000001 110.243 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 897' ' ' LEU . 0.8 OUTLIER -65.63 -32.79 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 1.6599999999999999 110.489 173.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 3.1 m -75.46 -15.73 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 0.81999999999999995 110.311 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -45.95 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 3.46 112.53 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.34 -176.89 3.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 1.8600000000000001 111.52 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.49 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 3.1200000000000001 111.428 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.8 mp -79.17 149.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.195 -0.298 . . . . 1.0600000000000001 110.195 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.79 -45.33 5.5 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.911 0.337 . . . . 1.6399999999999999 111.911 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.741 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.1 mm -122.4 135.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.023 -0.362 . . . . 1.03 110.023 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 828' ' ' LEU . 46.9 t -122.61 120.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.67000000000000004 111.561 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -129.93 115.9 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 0.87 109.656 175.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 132.27 54.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.569 0.223 . . . . 0.72999999999999998 110.63 -176.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.75 ' HA ' HG12 ' A' ' 902' ' ' VAL . 52.7 t0 -101.46 126.81 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.665 -0.698 . . . . 1.3400000000000001 110.952 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.582 ' HB ' HG22 ' A' ' 903' ' ' THR . 14.9 t -126.63 121.26 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.143 -0.48 . . . . 1.29 110.575 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.12 -38.98 7.9 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.817 -0.438 . . . . 2.5499999999999998 109.817 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.777 ' HG2' ' HB2' ' A' ' 881' ' ' MET . 4.3 tpp -71.13 111.33 9.61 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.43 -0.804 . . . . 3.6600000000000001 110.499 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.526 ' HB3' ' O ' ' A' ' 905' ' ' ASN . 11.7 Cg_endo -55.95 -54.24 4.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.719 2.946 . . . . 3.48 114.35 -171.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -101.63 16.1 26.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.666 0.27 . . . . 4.8700000000000001 111.514 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.777 ' HB2' ' HG2' ' A' ' 878' ' ' MET . 1.6 tpt -100.75 82.46 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.666 -0.414 . . . . 5.5800000000000001 110.889 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.502 ' O ' HD23 ' A' ' 886' ' ' LEU . 0.5 OUTLIER 64.43 17.78 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.276 -0.874 . . . . 4.9900000000000002 112.394 174.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -72.01 59.43 1.41 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 121.423 -0.418 . . . . 3.04 112.526 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.862 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.2 p90 171.87 -65.6 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.655 1.182 . . . . 2.8399999999999999 109.729 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.15 -25.86 65.83 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.048 -0.978 . . . . 3.3599999999999999 111.731 -168.34 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.95 HD22 ' HA3' ' A' ' 857' ' ' GLY . 3.6 pp -65.64 -28.64 69.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.376 -0.972 . . . . 2.3399999999999999 108.376 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.703 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 4.0 m -73.75 -36.09 65.1 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 113.987 -1.46 . . . . 1.28 109.227 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.589 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.4 tm0? -62.85 -48.48 78.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.333 -0.849 . . . . 2.1699999999999999 110.257 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -59.85 -33.99 72.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.695 -0.684 . . . . 2.3599999999999999 110.808 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.685 ' HA ' HD13 ' A' ' 861' ' ' LEU . 10.3 mt -61.19 -50.58 79.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 1.71 110.678 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -73.38 -23.39 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.069 0.462 . . . . 2.2400000000000002 111.157 -178.673 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -48.54 38.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 2.6200000000000001 110.431 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.764 HD23 HD11 ' A' ' 861' ' ' LEU . 39.5 tp -73.34 -66.36 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 1.9099999999999999 110.626 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 163.34 99.6 0.14 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.409 -0.9 . . . . 1.1200000000000001 112.329 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.3 pt? -92.03 168.32 11.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.058 0.456 . . . . 2.8900000000000001 110.595 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 896' ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' ' 897' ' ' LEU . 20.8 m -157.73 -26.71 0.08 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 2.4900000000000002 110.052 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 864' ' ' LEU . 0.6 OUTLIER -100.79 160.54 26.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.589 -0.732 . . . . 1.3999999999999999 110.221 -174.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.99 118.04 5.45 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.305 2.003 . . . . 0.72999999999999998 110.282 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.839 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.0 t -96.86 106.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.64000000000000001 110.478 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.0 OUTLIER -96.37 107.65 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.568 -0.742 . . . . 0.64000000000000001 109.767 176.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.78 96.8 2.19 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.501 -0.772 . . . . 0.47999999999999998 112.273 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 1.024 HG23 ' HB2' ' A' ' 923' ' ' LEU . 0.4 OUTLIER -81.38 119.17 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 1.04 108.317 174.11 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.582 HG22 ' HB ' ' A' ' 876' ' ' VAL . 2.1 p -143.11 163.42 32.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.801 -0.562 . . . . 0.89000000000000001 111.955 -169.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.57 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.92 -0.582 . . . . 1.1899999999999999 110.747 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 905' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 879' ' ' PRO . 5.9 t-20 67.28 29.07 7.78 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.219 0.822 . . . . 2.7000000000000002 113.219 169.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.932 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -93.86 -9.3 37.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.584 -0.446 . . . . 2.8100000000000001 110.944 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 0.4 OUTLIER 77.32 -44.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.643 0.777 . . . . 3.9300000000000002 112.187 173.49 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -140.75 56.81 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.969 0.414 . . . . 2.0899999999999999 110.324 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.932 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 53.4 mp0 -55.42 -49.11 73.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.805 -0.634 . . . . 3.3100000000000001 111.312 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -33.37 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.578 -0.737 . . . . 3.5800000000000001 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -38.13 72.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.817 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.862 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.2 mp0 -74.42 -29.57 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.755 -0.778 . . . . 2.6499999999999999 109.721 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.577 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 6.4 ttp85 -59.58 -41.53 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.031 -0.531 . . . . 4.0499999999999998 109.901 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 63.8 m -73.1 -40.26 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 1.6499999999999999 111.449 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.423 ' HB3' ' OE2' ' A' ' 916' ' ' GLU . 1.3 mm? -70.98 -51.5 25.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.881 0.372 . . . . 1.8799999999999999 111.739 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.713 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 4.5 mm-40 -77.41 -24.04 50.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.971 0.415 . . . . 3.4700000000000002 110.49 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.41 51.91 15.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.409 1.263 . . . . 1.3500000000000001 114.409 167.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.604 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.22 25.67 2.49 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.267 -0.968 . . . . 1.02 112.073 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.839 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.8 ttt -108.12 -118.8 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.936 0.398 . . . . 2.0099999999999998 111.5 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.0 t70 168.16 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.945 -1.025 . . . . 1.26 108.448 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 900' ' ' ILE . 15.3 m -143.82 163.77 32.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.223 -0.899 . . . . 1.26 109.982 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.577 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 35.9 m -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.665 0.269 . . . . 1.1299999999999999 110.498 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 1.024 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.7 OUTLIER -137.69 -176.22 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.68999999999999995 110.023 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.28 137.98 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.678 -0.237 . . . . 0.89000000000000001 110.532 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.614 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 18.1 tttp -39.73 -50.19 5.45 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 113.622 0.971 . . . . 1.1100000000000001 113.622 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 15.7 Cg_exo -70.8 67.05 2.37 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.196 1.931 . . . . 1.01 113.078 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.94 126.42 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.552 -0.294 . . . . 1.3600000000000001 110.65 175.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 175.87 7.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.508 -0.315 . . . . 0.92000000000000004 111.053 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.7 OUTLIER -58.76 -45.85 88.81 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.186 -0.461 . . . . 0.92000000000000004 111.121 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -44.68 87.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 1.8500000000000001 110.793 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.6 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.93000000000000005 110.924 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.3 tt -63.26 -34.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.485 -0.325 . . . . 1.1799999999999999 110.614 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -31.83 70.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.783 -0.19 . . . . 1.8999999999999999 110.879 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -61.39 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 2.25 110.061 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.48 93.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.581 . . . . 0.62 111.889 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -58.34 -65.3 0.67 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.238 -0.437 . . . . 0.85999999999999999 111.189 -178.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 1.6 m -64.02 -34.0 77.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.606 -0.725 . . . . 0.87 112.146 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -49.89 65.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.068 0.461 . . . . 1.4199999999999999 110.98 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' ' 943' ' ' VAL . 9.4 m-85 -74.03 -30.67 62.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 1.5900000000000001 110.924 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.68 87.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.60999999999999999 110.838 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -69.69 -31.02 68.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.415 -0.357 . . . . 1.8700000000000001 110.375 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.775 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 2.2 mtt85 -66.35 -48.01 71.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 3.1099999999999999 110.808 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 939' ' ' TYR . 13.3 m -71.51 -30.26 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.732 0.301 . . . . 0.75 110.256 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -50.44 71.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 3.5800000000000001 110.947 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.775 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.4 OUTLIER -70.22 -35.41 73.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.927 -0.309 . . . . 2.7799999999999998 111.003 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.8 m -69.76 -20.89 63.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.846 0.355 . . . . 1.3400000000000001 111.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -20.21 19.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.94 0.4 . . . . 3.5299999999999998 110.437 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.9 -50.17 69.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.403 -0.817 . . . . 2.6400000000000001 111.635 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.405 -0.807 . . . . 5.0899999999999999 110.316 -179.425 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.806 -0.442 . . . . 7.0099999999999998 109.806 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . 72.58 132.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.932 0.77 . . . . 5.3499999999999996 111.164 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.04 129.66 57.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.068 -0.515 . . . . 5.29 110.608 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 1.6 m -123.42 71.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.181 0.515 . . . . 4.7199999999999998 110.563 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.05 123.64 32.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 4.7400000000000002 110.047 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -115.89 -46.03 2.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.296 -0.411 . . . . 4.8600000000000003 110.414 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 4.3 t70 169.4 -44.64 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.408 -0.814 . . . . 5.0800000000000001 109.848 -171.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 18.7 t70 76.61 -57.85 0.53 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.753 -1.112 . . . . 3.9900000000000002 111.95 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.95 119.23 12.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.193 0.52 . . . . 1.8999999999999999 111.513 -175.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.456 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.4 OUTLIER -109.75 121.5 45.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 1.9299999999999999 110.212 179.041 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 3.3 mm -114.52 141.12 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.979 -0.555 . . . . 0.46999999999999997 109.716 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.421 HD23 HG13 ' A' ' 872' ' ' VAL . 8.4 tp -104.81 112.45 25.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.975 0.416 . . . . 1.3700000000000001 110.787 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 1.5 m -98.43 107.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.728 . . . . 1.0600000000000001 110.321 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.885 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 27.1 t -105.19 142.72 17.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.621 -0.718 . . . . 1.0700000000000001 109.825 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.57 139.88 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.102 0.251 . . . . 1.3 110.346 173.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -89.33 -6.9 56.31 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.485 0.55 . . . . 2.0299999999999998 112.485 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' A' ' 831' ' ' ASP . 3.6 t-80 -114.92 93.76 35.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 121.986 -0.446 . . . . 2.1200000000000001 110.853 -176.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -32.61 -50.73 0.37 Allowed 'Trans proline' 0 N--CA 1.482 0.805 0 C-N-CA 125.068 3.845 . . . . 1.1200000000000001 116.241 -168.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.402 ' H ' HG22 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.0 -40.01 74.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.377 0.608 . . . . 2.2599999999999998 111.079 -178.093 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.503 ' CG ' ' HE3' ' A' ' 925' ' ' LYS . 12.0 m120 -73.23 -31.22 64.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.637 -0.711 . . . . 1.8300000000000001 110.324 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.18 -51.03 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 2.7799999999999998 110.718 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.55 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.01 -48.07 76.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 2.75 110.451 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.55 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.61 -30.83 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.1399999999999999 111.739 -173.364 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.62 -44.26 67.6 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 1.4299999999999999 109.976 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.92 68.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.59999999999999998 110.223 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.25 -53.44 52.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 1.3400000000000001 109.818 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.645 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.77 -41.95 87.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.59 -0.732 . . . . 1.8500000000000001 110.745 177.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.56 -42.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.736 -0.666 . . . . 1.24 110.473 178.044 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.12 -35.85 89.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.743 -0.662 . . . . 0.52000000000000002 112.447 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.5 m -67.34 -28.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.67 0.271 . . . . 0.69999999999999996 111.025 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.59 ' HG ' HD23 ' A' ' 936' ' ' LEU . 0.7 OUTLIER -65.83 -36.21 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 1.5600000000000001 110.363 176.062 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.62 5.04 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.78 -0.724 . . . . 0.62 112.56 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -123.13 155.01 37.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.319 -0.252 . . . . 1.22 110.319 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.73 132.19 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.622 0.249 . . . . 2.3799999999999999 110.593 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.0 100.3 9.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.173 -0.467 . . . . 0.93999999999999995 111.11 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -89.29 120.89 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.074 -0.713 . . . . 1.4399999999999999 109.074 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.66 144.14 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.5 0.555 . . . . 0.62 112.5 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.864 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.38 163.07 40.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.581 -0.736 . . . . 0.46999999999999997 109.256 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 4.7 p30 -142.46 72.87 1.39 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.025 -0.67 . . . . 1.8999999999999999 112.442 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 9.0 t0 163.92 156.17 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.102 -0.954 . . . . 1.45 109.626 172.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.42 -46.81 74.9 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.386 -0.912 . . . . 0.57999999999999996 111.337 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -67.24 -30.76 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.626 0.25 . . . . 0.94999999999999996 111.19 176.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -62.22 -35.97 80.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.979 0.418 . . . . 0.83999999999999997 110.407 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -59.73 -48.19 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.692 -0.685 . . . . 0.51000000000000001 111.686 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 0.9 OUTLIER -74.68 -29.6 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 1.8500000000000001 110.553 179.615 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 862' ' ' ASN . . . . . 0.453 ' O ' ' HE2' ' A' ' 866' ' ' LYS . 8.8 t-20 -60.92 -52.72 63.85 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.139 -0.482 . . . . 1.72 110.85 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.84 -30.95 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.443 . . . . 0.89000000000000001 110.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -61.49 -35.28 77.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 1.6599999999999999 111.0 176.355 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -29.8 66.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.151 0.5 . . . . 0.81999999999999995 110.058 176.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 866' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 862' ' ' ASN . 0.2 OUTLIER -72.27 -53.63 11.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 3.46 111.099 178.702 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -144.26 156.93 44.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.117 -0.492 . . . . 1.8600000000000001 110.202 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 137.32 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.257 0.551 . . . . 3.1200000000000001 111.308 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.72 146.4 30.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.37 -0.974 . . . . 1.0600000000000001 108.37 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.32 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 1.6399999999999999 111.285 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.37 137.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 1.03 109.902 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 897' ' ' LEU . 11.3 t -111.79 123.19 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.696 0.284 . . . . 0.67000000000000004 110.737 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.804 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -119.97 109.92 16.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.439 -0.578 . . . . 0.87 109.439 175.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.885 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -111.91 117.0 31.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.753 0.311 . . . . 0.72999999999999998 110.987 -177.599 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 14.1 t0 -85.72 106.1 16.73 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.557 0.694 . . . . 1.3400000000000001 110.481 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.13 77.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.642 -1.163 . . . . 1.29 109.428 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 879' ' ' PRO . 2.8 p-10 -83.65 9.53 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.578 0.704 . . . . 2.5499999999999998 109.566 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 43.5 tpp -99.92 101.42 14.0 Favored Pre-proline 0 N--CA 1.443 -0.785 0 CA-C-N 114.565 -1.198 . . . . 3.6600000000000001 109.938 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.546 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 70.3 Cg_endo -76.54 -4.86 15.51 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.535 2.157 . . . . 3.48 111.874 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.51 111.21 15.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.468 -0.787 . . . . 4.8700000000000001 110.497 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 74.33 -90.32 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.455 -0.793 . . . . 5.5800000000000001 112.532 173.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.86 69.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.478 0.547 . . . . 4.9900000000000002 112.478 -167.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -98.8 -26.14 9.27 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 120.559 -0.829 . . . . 3.04 111.885 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.793 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 6.2 p90 -114.85 -40.59 3.5 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 122.239 1.019 . . . . 2.8399999999999999 110.963 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.08 -26.63 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.111 -1.404 . . . . 3.3599999999999999 110.994 -173.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.701 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -66.75 -31.2 71.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.006 -0.543 . . . . 2.3399999999999999 109.927 -174.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.812 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.4 OUTLIER -77.69 -27.58 50.77 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.735 -0.839 . . . . 1.28 108.735 177.376 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 4.5 tm0? -62.32 -45.06 94.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.324 0.583 . . . . 2.1699999999999999 109.748 170.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -28.84 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.603 -0.726 . . . . 2.3599999999999999 110.609 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 887' ' ' THR . 97.3 mt -68.83 -39.88 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.44 -0.345 . . . . 1.71 110.455 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.45 60.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.937 0.398 . . . . 2.2400000000000002 110.304 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -71.73 -41.29 68.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.287 0.565 . . . . 2.6200000000000001 110.018 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -40.65 84.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.449 -0.796 . . . . 1.9099999999999999 110.584 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.97 75.84 1.2 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.882 -0.675 . . . . 1.1200000000000001 111.523 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.459 HD23 ' H ' ' A' ' 895' ' ' LEU . 0.5 OUTLIER -61.4 131.97 51.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 2.8900000000000001 111.529 -177.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.31 12.79 27.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.321 0.581 . . . . 2.4900000000000002 109.95 176.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 864' ' ' LEU . 0.5 OUTLIER -156.4 155.12 28.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.331 -0.849 . . . . 1.3999999999999999 109.7 -174.218 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.429 ' HB2' ' HE1' ' A' ' 939' ' ' TYR . 17.3 Cg_exo -68.04 136.93 39.48 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 122.893 2.395 . . . . 0.72999999999999998 112.786 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.864 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 20.7 t -112.44 125.23 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.865 -0.607 . . . . 0.64000000000000001 110.624 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.804 HD12 HD23 ' A' ' 873' ' ' LEU . 0.3 OUTLIER -108.67 112.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.68 -0.489 . . . . 0.64000000000000001 109.68 176.053 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 901' ' ' GLY . . . . . 0.418 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -90.87 112.36 4.1 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.776 -0.726 . . . . 0.47999999999999998 112.214 -177.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -84.44 109.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.997 -0.742 . . . . 1.04 108.997 178.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 66.8 p -116.23 164.14 14.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.12 0.486 . . . . 0.89000000000000001 111.577 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.69 102.9 4.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.868 -0.605 . . . . 1.1899999999999999 110.732 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.4 t30 47.22 60.82 3.21 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.948 0.78 . . . . 2.7000000000000002 112.688 173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -97.73 45.31 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 2.8100000000000001 110.057 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.3 mt 67.53 -77.54 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.21 -0.905 . . . . 3.9300000000000002 111.325 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -142.01 52.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.226 0.536 . . . . 2.0899999999999999 110.054 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 14.3 pm0 -63.69 -27.5 69.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.668 -0.696 . . . . 3.3100000000000001 112.013 -174.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 909' ' ' GLU . 4.3 tp10 -62.01 -46.16 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.481 . . . . 3.5800000000000001 109.74 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -38.01 77.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.005 -0.543 . . . . 2.29 110.739 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.793 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -70.47 -31.18 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.519 -0.472 . . . . 2.6499999999999999 110.317 -178.461 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.441 ' HG3' ' SD ' ' A' ' 919' ' ' MET . 3.3 tmm_? -62.24 -41.56 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.777 -0.453 . . . . 4.0499999999999998 109.777 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 37.9 m -65.92 -31.56 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.798 -0.637 . . . . 1.6499999999999999 110.51 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.28 -52.16 17.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.255 -0.43 . . . . 1.8799999999999999 111.5 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.812 ' HB2' HG22 ' A' ' 887' ' ' THR . 13.4 mm-40 -72.43 -24.58 61.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.364 -0.38 . . . . 3.4700000000000002 111.524 -175.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 6.4 m 50.85 52.23 15.37 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.147 1.166 . . . . 1.3500000000000001 114.147 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -140.32 25.93 2.59 Favored Glycine 0 C--N 1.319 -0.41 0 C-N-CA 120.359 -0.924 . . . . 1.02 112.769 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.864 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.4 ttm -117.0 -117.98 0.32 Allowed 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.717 -0.284 . . . . 2.0099999999999998 111.096 -176.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.1 t70 171.7 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.544 -0.91 . . . . 1.26 108.544 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 900' ' ' ILE . 14.6 m -145.07 163.39 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.091 -0.959 . . . . 1.26 110.173 177.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 145.47 43.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 1.1299999999999999 110.285 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 71.5 mt -130.52 178.07 6.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.489 . . . . 0.68999999999999995 109.976 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.7 OUTLIER -115.33 136.4 53.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.489 -0.323 . . . . 0.89000000000000001 110.263 178.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 836' ' ' ASN . 15.5 tttp -46.21 -50.29 38.57 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 112.898 0.703 . . . . 1.1100000000000001 112.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.6 Cg_endo -72.64 63.6 3.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 121.891 1.727 . . . . 1.01 112.914 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 927' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -85.26 134.55 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.454 . . . . 1.3600000000000001 110.397 178.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 171.36 8.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.464 . . . . 0.92000000000000004 111.217 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.645 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -61.03 -47.51 86.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.29 -0.414 . . . . 0.92000000000000004 111.401 -177.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.97 -34.72 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.672 -0.411 . . . . 1.8500000000000001 110.652 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.85 -47.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.93000000000000005 110.421 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 929' ' ' LEU . 3.9 tt -64.96 -28.23 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-O 120.78 0.324 . . . . 1.1799999999999999 110.572 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -48.36 73.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 1.8999999999999999 111.119 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.465 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -63.27 -49.63 73.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 2.25 110.664 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.2 m -62.65 -44.5 96.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.62 111.63 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.59 HD23 ' HG ' ' A' ' 847' ' ' LEU . 9.4 tp -69.25 -38.53 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.671 -0.24 . . . . 0.85999999999999999 111.365 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 94.7 m -66.82 -44.74 80.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.68 0.276 . . . . 0.87 110.774 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -45.27 90.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 1.4199999999999999 110.523 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.429 ' HE1' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.53 -46.03 81.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.885 -0.598 . . . . 1.5900000000000001 111.245 -178.298 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.97 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.60999999999999999 111.183 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.1 OUTLIER -64.82 -48.68 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 1.8700000000000001 110.282 178.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 9.2 ptt85 -69.11 -34.02 74.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.068 -0.514 . . . . 3.1099999999999999 111.766 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 33.4 m -75.79 -32.5 24.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.932 0.396 . . . . 0.75 110.404 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -50.33 72.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.097 -0.501 . . . . 3.5800000000000001 109.948 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -77.26 -15.67 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 2.7799999999999998 111.417 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 4.0 m -64.81 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.24 -0.184 . . . . 1.3400000000000001 110.934 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -42.09 9.89 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.588 -0.445 . . . . 3.5299999999999998 110.949 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 948' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 945' ' ' LYS . 9.3 t0 -114.33 96.68 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.811 -0.44 . . . . 2.6400000000000001 109.811 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.451 -0.785 . . . . 5.0899999999999999 110.784 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.014 -0.365 . . . . 7.0099999999999998 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -106.67 130.69 54.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.399 . . . . 5.3499999999999996 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.51 86.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 5.29 110.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.93 51.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.463 0.542 . . . . 4.7199999999999998 112.463 -175.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.52 117.31 33.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.962 -0.755 . . . . 4.7400000000000002 108.962 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.8 -45.43 4.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.852 0.686 . . . . 4.8600000000000003 112.852 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -162.61 -69.24 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.417 -0.513 . . . . 5.0800000000000001 112.099 -167.194 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 15.4 t70 76.85 -55.78 0.56 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.37 1.044 . . . . 3.9900000000000002 110.925 -173.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.2 ttt -144.5 137.73 27.1 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.091 0.472 . . . . 1.8999999999999999 111.555 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 869' ' ' ILE . 11.4 ttp -118.28 123.71 46.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.723 -0.671 . . . . 1.9299999999999999 110.142 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.633 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.7 mm -118.08 146.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 0.46999999999999997 110.727 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.6 OUTLIER -100.29 115.7 30.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 1.3700000000000001 110.675 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.515 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -102.18 106.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.492 0.663 . . . . 1.0600000000000001 109.783 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 15.5 t -120.48 133.5 66.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.836 -0.62 . . . . 1.0700000000000001 111.697 -173.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -151.77 131.45 13.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.472 -0.936 . . . . 1.3 108.472 167.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -36.51 69.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.098 0.475 . . . . 2.0299999999999998 110.372 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.34 163.33 20.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 2.1200000000000001 109.933 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.76 -20.71 7.61 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 121.822 1.681 . . . . 1.1200000000000001 113.663 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -70.27 -49.13 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 112.231 0.456 . . . . 2.2599999999999998 112.231 -172.462 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.469 ' HB2' ' HE3' ' A' ' 925' ' ' LYS . 5.1 t30 -83.47 -21.88 32.74 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.626 -0.509 . . . . 1.8300000000000001 109.626 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -63.73 -50.98 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.843 -0.617 . . . . 2.7799999999999998 110.4 174.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -65.6 -33.86 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 2.75 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -51.49 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 1.1399999999999999 111.229 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -68.92 -30.92 69.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 1.4299999999999999 111.074 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.9 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.237 -0.283 . . . . 0.59999999999999998 110.237 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -70.6 -37.09 73.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 1.3400000000000001 109.857 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.668 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.4 OUTLIER -59.55 -46.52 88.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.51 -0.768 . . . . 1.8500000000000001 110.1 175.109 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.633 HD21 ' HB ' ' A' ' 827' ' ' ILE . 22.4 tp -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.24 110.657 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.89 -33.34 86.79 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.374 -0.69 . . . . 0.52000000000000002 111.374 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 2.0 m -70.1 -30.74 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.921 -0.399 . . . . 0.69999999999999996 109.921 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -35.15 79.41 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.991 -0.55 . . . . 1.5600000000000001 110.011 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.89 24.71 40.56 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.715 -0.675 . . . . 0.62 112.07 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -108.32 170.47 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.254 . . . . 1.22 110.964 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 5.3 tp-100 -66.23 122.75 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 2.3799999999999999 110.492 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.4 m -102.91 108.08 19.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.833 0.349 . . . . 0.93999999999999995 111.065 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -96.73 116.47 29.19 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.377 -0.601 . . . . 1.4399999999999999 109.377 175.802 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 137.55 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.378 0.51 . . . . 0.62 112.378 -173.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.49 166.66 29.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 0.46999999999999997 109.057 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.2 p-10 -143.8 72.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.233 -0.587 . . . . 1.8999999999999999 112.049 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.968 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 42.3 t0 163.45 156.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 114.762 -1.108 . . . . 1.45 109.022 173.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.604 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -68.5 -43.62 76.55 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.366 -0.921 . . . . 0.57999999999999996 111.275 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.751 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.63 -28.98 25.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.765 0.317 . . . . 0.94999999999999996 110.552 178.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.968 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.4 t0 -53.85 -39.71 65.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.928 0.394 . . . . 0.83999999999999997 110.57 174.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -60.3 -34.72 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.51000000000000001 111.015 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 858' ' ' VAL . 6.6 mp -66.98 -45.98 76.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 1.8500000000000001 110.38 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.09 -46.51 83.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.035 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.509 HG11 HD21 ' A' ' 828' ' ' LEU . 2.2 t -62.33 -37.59 79.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.967 -1.015 . . . . 0.89000000000000001 110.501 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 864' ' ' LEU . 0.2 OUTLIER -68.36 -36.31 79.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 1.6599999999999999 111.157 178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 18.6 m -67.33 -27.84 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.81999999999999995 111.118 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 866' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 0.2 OUTLIER -88.56 -54.0 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.876 177.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 1.8600000000000001 110.268 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -88.82 129.74 35.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 3.1200000000000001 110.541 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 826' ' ' MET . 1.0 OUTLIER -121.64 144.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.33 -0.618 . . . . 1.0600000000000001 109.33 -179.265 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.68 -60.07 3.79 Favored 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.295 0.372 . . . . 1.6399999999999999 111.242 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 140.35 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 1.03 110.288 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.484 HG23 HD11 ' A' ' 897' ' ' LEU . 55.9 t -114.75 124.63 71.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 121.06 -0.256 . . . . 0.67000000000000004 111.39 -176.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.48 109.53 19.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.401 -0.592 . . . . 0.87 109.401 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.873 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -118.98 118.57 31.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.753 0.311 . . . . 0.72999999999999998 111.364 -176.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 875' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -93.09 118.64 31.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.944 -0.571 . . . . 1.3400000000000001 110.421 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 8.9 t -95.48 106.33 18.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.501 -0.772 . . . . 1.29 110.597 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -98.37 -8.61 26.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.827 -0.624 . . . . 2.5499999999999998 109.623 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 8.4 tpt -132.02 101.09 15.33 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.476 -0.784 . . . . 3.6600000000000001 110.782 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.26 92.15 0.47 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.743 2.296 . . . . 3.48 111.516 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 880' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 881' ' ' MET . 14.3 p30 -78.97 34.71 0.24 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.121 -0.49 . . . . 4.8700000000000001 111.753 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.568 ' HB2' ' O ' ' A' ' 880' ' ' ASN . 0.0 OUTLIER 159.78 -64.99 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.741 1.216 . . . . 5.5800000000000001 108.031 -178.092 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.54 ' HB3' ' HD1' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -168.98 175.41 5.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.138 -1.392 . . . . 4.9900000000000002 107.695 175.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -78.44 55.99 4.09 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.698 -0.763 . . . . 3.04 112.63 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 1.055 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 5.2 p90 -161.87 -42.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 2.8399999999999999 112.603 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.52 ' C ' ' HD2' ' A' ' 885' ' ' ARG . 0.6 OUTLIER -55.51 -29.62 59.19 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 113.255 0.835 . . . . 3.3599999999999999 113.255 -156.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.604 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -70.29 -33.32 71.41 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.884 1.326 . . . . 2.3399999999999999 108.359 -169.053 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 887' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -75.82 -26.67 57.43 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.237 -1.801 . . . . 1.28 109.984 177.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.09 -35.53 80.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.515 -0.55 . . . . 2.1699999999999999 109.515 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.49 99.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.659 -0.701 . . . . 2.3599999999999999 109.716 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 895' ' ' LEU . 97.3 mt -55.71 -47.37 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.211 -0.45 . . . . 1.71 110.656 173.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -59.53 -43.32 93.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 2.2400000000000002 111.338 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 6.1 mm100 -66.78 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 2.6200000000000001 111.026 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -73.56 -37.07 65.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 1.9099999999999999 110.15 176.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.12 27.65 15.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.957 -0.639 . . . . 1.1200000000000001 112.663 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 890' ' ' ILE . 0.1 OUTLIER -83.52 115.69 22.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.691 0.281 . . . . 2.8900000000000001 110.488 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -81.65 51.44 1.69 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.193 0.997 . . . . 2.4900000000000002 110.534 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.484 HD11 HG23 ' A' ' 872' ' ' VAL . 2.6 tp -96.99 130.49 29.83 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.33 -0.85 . . . . 1.3999999999999999 110.426 -176.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD2' HD12 ' A' ' 897' ' ' LEU . 51.6 Cg_endo -71.34 106.87 2.02 Favored 'Trans proline' 0 C--O 1.242 0.701 0 C-N-CA 122.748 2.299 . . . . 0.72999999999999998 112.107 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.6 t -106.66 116.56 50.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.52 0.676 . . . . 0.64000000000000001 111.442 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 923' ' ' LEU . 53.6 mt -88.91 98.28 7.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.175 -0.921 . . . . 0.64000000000000001 108.552 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.41 7.07 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.599 -0.81 . . . . 0.47999999999999998 113.414 -171.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 923' ' ' LEU . 0.1 OUTLIER -101.99 146.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.252 -1.018 . . . . 1.04 108.252 173.327 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 143.77 31.06 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.398 -0.521 . . . . 0.89000000000000001 111.749 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -99.61 105.5 17.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.097 -0.501 . . . . 1.1899999999999999 110.948 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 51.75 51.22 17.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.749 0.656 . . . . 2.7000000000000002 112.133 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -97.64 97.54 9.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 2.8100000000000001 109.663 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.38 144.91 44.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.43 -0.35 . . . . 3.9300000000000002 111.249 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.64 32.23 16.39 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.746 -0.661 . . . . 2.0899999999999999 111.793 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.4 OUTLIER -72.43 -18.1 61.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.123 -0.49 . . . . 3.3100000000000001 111.342 -178.163 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -52.68 64.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 3.5800000000000001 110.121 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.403 ' HE2' HD12 ' A' ' 915' ' ' LEU . 2.9 tttt -67.01 -37.48 84.26 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.01 -0.541 . . . . 2.29 110.625 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 1.055 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.6 mp0 -67.84 -29.33 68.44 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.239 -0.584 . . . . 2.6499999999999999 109.981 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.482 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -65.41 -38.01 88.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 4.0499999999999998 111.002 177.627 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.44 -32.94 73.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.638 -0.504 . . . . 1.6499999999999999 109.638 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.03 -48.26 53.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.708 -0.678 . . . . 1.8799999999999999 112.15 -179.193 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 1.031 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -75.7 -45.51 36.4 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 119.528 -0.869 . . . . 3.4700000000000002 109.749 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.6 m 53.18 51.17 16.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.479 -0.782 . . . . 1.3500000000000001 112.917 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -136.4 -12.35 1.08 Allowed Glycine 0 C--N 1.32 -0.356 0 C-N-CA 119.817 -1.182 . . . . 1.02 113.181 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 mtt -83.34 -113.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.79 0.295 . . . . 2.0099999999999998 110.93 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.668 ' HB2' ' O ' ' A' ' 919' ' ' MET . 3.6 t70 156.77 -57.65 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.629 1.171 . . . . 1.26 109.029 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.482 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.3 OUTLIER -102.69 147.83 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.095 -178.508 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 117.92 22.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 1.1299999999999999 110.446 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.684 HD11 HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -135.23 172.96 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.68999999999999995 109.968 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.83 155.75 23.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.534 -0.303 . . . . 0.89000000000000001 110.36 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 836' ' ' ASN . 1.5 tttp -44.84 -48.93 29.21 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.038 0.755 . . . . 1.1100000000000001 113.038 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 34.9 Cg_endo -65.4 67.03 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.193 1.929 . . . . 1.01 112.856 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.26 164.46 2.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 1.3600000000000001 110.348 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.8 169.44 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.635 -0.257 . . . . 0.92000000000000004 110.523 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.668 HD23 ' HG2' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -61.33 -47.2 87.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.27 0.228 . . . . 0.92000000000000004 111.423 -176.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -65.91 -42.21 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.039 0.447 . . . . 1.8500000000000001 109.964 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.92 -47.45 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.713 -0.676 . . . . 0.93000000000000005 111.0 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.8 OUTLIER -68.13 -31.86 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 1.1799999999999999 110.772 -178.411 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.423 ' HB3' ' HE3' ' A' ' 933' ' ' LYS . 2.9 tmmt? -67.99 -36.29 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 1.8999999999999999 110.212 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -61.53 -55.26 32.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.325 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.06 96.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.646 -0.252 . . . . 0.62 111.199 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -55.06 -56.5 19.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.033 0.444 . . . . 0.85999999999999999 110.895 178.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.5 m -70.05 -38.77 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.673 -0.694 . . . . 0.87 112.069 -174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -40.48 89.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 1.4199999999999999 110.963 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.56 -25.79 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.547 -0.297 . . . . 1.5900000000000001 110.353 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.06 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.60999999999999999 110.339 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.9 -32.55 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 1.8700000000000001 109.904 176.287 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.3 OUTLIER -68.99 -47.6 65.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.936 -0.575 . . . . 3.1099999999999999 110.727 -178.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 947' ' ' ARG . 28.8 m -70.28 -30.1 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.91 -0.316 . . . . 0.75 110.262 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.28 -47.18 85.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 3.5800000000000001 110.196 174.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 12.7 mttp -62.44 -33.69 75.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.232 0.539 . . . . 2.7799999999999998 110.501 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.3 m -68.27 -34.19 75.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.803 -0.635 . . . . 1.3400000000000001 110.989 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 943' ' ' VAL . 25.0 mtm180 -76.71 -56.24 4.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.013 0.435 . . . . 3.5299999999999998 110.452 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.63 134.32 46.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 2.6400000000000001 110.194 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.612 -0.709 . . . . 5.0899999999999999 110.817 -176.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 109.899 -0.408 . . . . 7.0099999999999998 109.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -94.83 135.07 36.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.72 0.295 . . . . 5.3499999999999996 110.729 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 96.5 t -91.33 107.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.864 -0.421 . . . . 5.29 109.864 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.44 66.39 9.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.343 0.592 . . . . 4.7199999999999998 111.23 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -111.35 164.21 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.037 -0.529 . . . . 4.7400000000000002 109.674 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -147.98 -66.41 0.25 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.119 -0.491 . . . . 4.8600000000000003 109.799 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 1.029 ' HB2' ' HG3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -173.55 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 5.0800000000000001 110.207 -177.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.5 t70 75.83 -53.03 0.63 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.669 0.788 . . . . 3.9900000000000002 112.398 170.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 5.7 ttm -137.37 112.71 9.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.865 0.364 . . . . 1.8999999999999999 111.063 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.452 ' HG2' ' H ' ' A' ' 826' ' ' MET . 1.3 ptp -95.94 109.6 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.637 -0.711 . . . . 1.9299999999999999 110.438 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.2 mm -106.1 145.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.615 -0.72 . . . . 0.46999999999999997 110.326 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.909 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.4 tp -100.99 107.49 18.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.89 0.376 . . . . 1.3700000000000001 110.756 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.9 m -94.08 101.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.493 0.664 . . . . 1.0600000000000001 109.756 177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.0 t -110.65 143.25 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.736 -0.666 . . . . 1.0700000000000001 110.788 -176.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -153.06 147.09 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.827 -0.805 . . . . 1.3 108.827 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -20.9 66.57 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.443 0.465 . . . . 2.0299999999999998 111.684 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 834' ' ' PRO . 0.1 OUTLIER -131.54 -177.27 0.66 Allowed Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 109.763 -0.458 . . . . 2.1200000000000001 109.763 175.594 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 4.6 Cg_exo -82.08 -28.44 2.0 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.064 1.843 . . . . 1.1200000000000001 113.815 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.56 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.4 OUTLIER -62.94 -48.04 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 113.069 0.766 . . . . 2.2599999999999998 113.069 -170.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -83.01 -22.84 33.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.027 -0.669 . . . . 1.8300000000000001 109.734 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -58.65 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.595 -0.73 . . . . 2.7799999999999998 110.145 172.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -69.87 -29.75 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 2.75 110.935 -179.074 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -45.94 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 1.1399999999999999 111.146 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -73.43 -32.26 64.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.685 0.279 . . . . 1.4299999999999999 110.453 -178.776 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -27.09 63.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.148 0.499 . . . . 0.59999999999999998 109.915 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 842' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 18.7 t0 -64.66 -46.33 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 1.3400000000000001 109.843 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.623 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -62.86 -38.45 90.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.444 -0.798 . . . . 1.8500000000000001 110.716 177.612 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 851' ' ' CYS . 8.4 tp -65.92 -31.38 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 1.24 110.374 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.33 -35.76 92.49 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.911 -0.586 . . . . 0.52000000000000002 112.063 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -36.05 79.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 0.69999999999999996 110.076 174.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.87 -48.72 73.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 1.5600000000000001 110.337 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.55 36.77 3.43 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.62 112.558 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -124.54 158.11 33.73 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.77 -0.253 . . . . 1.22 110.839 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 1.029 ' HG3' ' HB2' ' A' ' 823' ' ' ASP . 0.4 OUTLIER -70.5 125.42 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 2.3799999999999999 110.941 -174.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.571 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -114.42 117.22 30.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.043 -0.526 . . . . 0.93999999999999995 110.912 -177.333 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.0 OUTLIER -102.1 118.62 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.403 -0.592 . . . . 1.4399999999999999 109.403 174.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.83 112.92 24.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.057 0.456 . . . . 0.62 112.207 -171.138 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.5 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -117.96 157.56 26.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.46999999999999997 109.941 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.647 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.1 t-20 -131.43 71.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.48 -0.488 . . . . 1.8999999999999999 112.062 -172.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.9 t70 160.04 162.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.557 1.143 . . . . 1.45 109.344 168.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.03 -40.34 83.9 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.673 -0.971 . . . . 0.57999999999999996 110.673 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.519 HG22 ' OD1' ' A' ' 856' ' ' ASP . 20.4 m -74.01 -29.2 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.94999999999999996 110.538 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.578 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 12.7 t0 -60.79 -31.29 70.67 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.83999999999999997 110.862 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.24 85.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.51000000000000001 110.295 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 890' ' ' ILE . 9.4 mp -71.14 -38.48 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 1.8500000000000001 110.319 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -50.03 72.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.476 -0.784 . . . . 1.72 110.229 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.456 HG11 HD11 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -67.58 -35.83 74.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.89000000000000001 110.562 -179.274 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 897' ' ' LEU . 0.5 OUTLIER -63.99 -32.88 74.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.908 0.385 . . . . 1.6599999999999999 110.731 178.024 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 71.5 m -68.36 -36.67 79.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.81999999999999995 110.294 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -69.99 -46.44 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.811 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -144.91 135.7 24.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.231 -0.44 . . . . 1.8600000000000001 110.341 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.95 97.27 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 3.1200000000000001 111.118 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.909 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.8 OUTLIER -77.54 148.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 1.0600000000000001 109.757 175.458 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.27 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 1.6399999999999999 111.193 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 4.3 mt -124.98 140.91 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.398 . . . . 1.03 110.383 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.734 HG23 HD11 ' A' ' 897' ' ' LEU . 77.9 t -113.99 131.61 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.564 0.221 . . . . 0.67000000000000004 111.305 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -122.11 98.58 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.002 -0.74 . . . . 0.87 109.002 172.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -103.39 98.96 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.336 -0.393 . . . . 0.72999999999999998 111.595 -176.045 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.696 ' HA ' HG22 ' A' ' 902' ' ' VAL . 44.9 t0 -71.39 117.03 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 1.3400000000000001 110.374 170.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 119.42 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.193 0.52 . . . . 1.29 110.892 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -86.44 58.34 5.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.914 0.864 . . . . 2.5499999999999998 108.781 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 2.2 tpp -146.87 85.26 7.12 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.81 -1.086 . . . . 3.6600000000000001 109.853 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -90.99 -70.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.242 2.628 . . . . 3.48 112.112 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 880' ' ' ASN . . . . . 0.566 ' O ' ' HB3' ' A' ' 881' ' ' MET . 3.9 t30 -73.95 130.71 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 4.8700000000000001 110.107 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' A' ' 880' ' ' ASN . 1.3 ttt 86.09 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.472 1.107 . . . . 5.5800000000000001 111.089 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.71 16.91 10.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.844 -1.071 . . . . 4.9900000000000002 112.529 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -72.22 108.77 2.59 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.958 -0.857 . . . . 3.04 110.958 176.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.792 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.6 p90 126.73 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.006 1.722 . . . . 2.8399999999999999 109.127 -169.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.96 -24.61 66.22 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.671 -1.15 . . . . 3.3599999999999999 112.738 -161.399 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -69.97 -37.17 75.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.009 0.909 . . . . 2.3399999999999999 108.68 -171.272 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.545 ' HB ' ' CG ' ' A' ' 916' ' ' GLU . 21.5 m -71.85 -27.43 62.88 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.407 -1.269 . . . . 1.28 110.521 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 1.9 tt0 -58.1 -39.25 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.527 0.68 . . . . 2.1699999999999999 109.774 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.27 -36.51 84.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.23 -0.895 . . . . 2.3599999999999999 110.317 174.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 861' ' ' LEU . 71.5 mt -57.26 -50.53 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.52 -0.309 . . . . 1.71 111.389 177.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -71.02 -28.1 64.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.714 0.292 . . . . 2.2400000000000002 111.223 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.446 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -74.0 -27.82 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.039 0.447 . . . . 2.6200000000000001 110.514 178.655 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 53.2 tp -78.31 -21.99 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.941 -0.572 . . . . 1.9099999999999999 109.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 77.76 58.67 3.2 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.009 -0.615 . . . . 1.1200000000000001 112.589 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.5 147.3 23.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.074 -0.343 . . . . 2.8900000000000001 110.074 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 2.6 t -111.84 10.2 20.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.379 0.609 . . . . 2.4900000000000002 110.833 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 872' ' ' VAL . 0.0 OUTLIER -89.0 152.14 47.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.824 -0.625 . . . . 1.3999999999999999 110.424 -177.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 6.8 Cg_exo -74.64 118.87 5.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 123.018 2.479 . . . . 0.72999999999999998 111.934 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.827 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 2.9 t -109.77 129.99 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 121.72 0.771 . . . . 0.64000000000000001 111.365 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.92 HD12 HD23 ' A' ' 873' ' ' LEU . 0.4 OUTLIER -114.46 134.05 58.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.395 -0.821 . . . . 0.64000000000000001 108.983 173.362 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -123.86 101.41 0.68 Allowed Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.677 -0.969 . . . . 0.47999999999999998 110.677 -171.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' A' ' 875' ' ' ASP . 0.4 OUTLIER -87.15 131.49 34.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.763 -0.829 . . . . 1.04 108.763 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 2.6 p -132.43 167.58 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.697 0.284 . . . . 0.89000000000000001 111.033 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -128.9 123.18 31.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.1899999999999999 111.356 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 36.0 t30 57.53 40.71 26.78 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.797 -0.638 . . . . 2.7000000000000002 111.356 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.417 ' HB1' HE22 ' A' ' 912' ' ' GLN . . . -94.13 -33.74 13.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.179 -0.464 . . . . 2.8100000000000001 110.271 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.46 -62.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.388 -0.824 . . . . 3.9300000000000002 111.285 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . -90.77 55.78 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.45 0.643 . . . . 2.0899999999999999 110.44 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.8 -35.94 79.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.596 -0.729 . . . . 3.3100000000000001 110.562 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -26.27 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.482 -0.562 . . . . 3.5800000000000001 109.482 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.559 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -70.18 -32.17 69.98 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.78 -0.646 . . . . 2.29 110.473 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 11.0 mt-30 -67.19 -42.77 83.63 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 119.141 -1.024 . . . . 2.6499999999999999 108.879 173.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -52.65 -36.86 57.56 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.368 0.418 . . . . 4.0499999999999998 111.17 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 69.4 m -76.06 -34.76 59.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.728 0.299 . . . . 1.6499999999999999 111.182 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 1.2 tp -71.35 -52.94 15.95 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.136 0.421 . . . . 1.8799999999999999 112.136 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.08 -43.34 24.34 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.6 0.238 . . . . 3.4700000000000002 110.634 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 14.5 m 53.24 51.54 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.963 0.727 . . . . 1.3500000000000001 112.963 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -141.83 11.43 2.63 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.051 -1.071 . . . . 1.02 112.3 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.827 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.1 OUTLIER -99.76 -104.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.607 0.241 . . . . 2.0099999999999998 110.962 -175.188 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 919' ' ' MET . 41.1 t0 162.03 -55.11 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.634 1.174 . . . . 1.26 108.218 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 900' ' ' ILE . 2.6 m -141.87 152.56 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.627 -0.715 . . . . 1.26 110.781 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 142.89 47.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.348 -0.387 . . . . 1.1299999999999999 110.489 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 902' ' ' VAL . 1.7 mt -125.38 -175.41 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.357 . . . . 0.68999999999999995 110.069 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 2.3 m -108.23 152.25 24.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.945 -0.571 . . . . 0.89000000000000001 109.482 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.687 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 15.8 tttp -43.79 -60.96 2.21 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 113.778 1.029 . . . . 1.1100000000000001 113.778 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 1.8 Cg_endo -83.23 70.78 6.45 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.942 1.761 . . . . 1.01 112.845 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 927' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 931' ' ' VAL . 2.1 t -68.73 110.58 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 1.3600000000000001 110.34 172.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.67 178.72 7.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.606 -0.27 . . . . 0.92000000000000004 111.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.2 -42.72 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.92000000000000004 111.562 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -56.05 22.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.585 -0.28 . . . . 1.8500000000000001 110.861 -177.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 931' ' ' VAL . . . . . 0.411 ' HB ' ' CG1' ' A' ' 927' ' ' VAL . 0.0 OUTLIER -61.54 -36.44 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.669 -0.241 . . . . 0.93000000000000005 111.316 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.623 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -64.41 -39.57 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.619 0.247 . . . . 1.1799999999999999 110.409 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.18 79.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.277 -0.268 . . . . 1.8999999999999999 110.277 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -58.88 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 2.25 110.615 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -69.39 -41.99 75.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.693 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -63.7 -47.14 82.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.436 0.16 . . . . 0.85999999999999999 110.967 -178.241 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.6 m -65.79 -43.56 88.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.534 -0.303 . . . . 0.87 111.223 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.3 86.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 1.4199999999999999 111.132 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.67 -34.64 52.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.5 -0.318 . . . . 1.5900000000000001 111.212 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.56 -46.76 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.60999999999999999 110.671 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.8 OUTLIER -68.36 -33.21 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.339 -0.391 . . . . 1.8700000000000001 110.308 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -65.06 -48.68 72.94 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.448 -0.342 . . . . 3.1099999999999999 110.868 -179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 20.1 m -67.61 -30.53 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.731 -0.388 . . . . 0.75 110.664 -176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -67.77 -50.85 54.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.395 . . . . 3.5800000000000001 110.965 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.4 OUTLIER -76.01 -25.19 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.868 0.322 . . . . 2.7799999999999998 111.868 -175.707 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 7.8 m -82.9 -17.88 42.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 1.3400000000000001 110.403 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -84.21 -58.25 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 3.5299999999999998 110.102 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -173.22 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.074 0.464 . . . . 2.6400000000000001 111.577 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.414 -0.803 . . . . 5.0899999999999999 111.594 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.883 0.373 . . . . 7.0099999999999998 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -157.31 175.75 13.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 5.3499999999999996 110.254 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.73 118.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.395 -0.366 . . . . 5.29 110.278 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.52 118.42 19.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.091 -0.504 . . . . 4.7199999999999998 111.51 -177.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 130.2 37.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 4.7400000000000002 110.088 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -79.25 -73.88 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.481 0.658 . . . . 4.8600000000000003 109.944 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 5.6 t70 179.76 -129.47 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.603 -1.258 . . . . 5.0800000000000001 107.603 -174.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 5.4 t70 174.45 52.56 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 O-C-N 123.929 0.768 . . . . 3.9900000000000002 109.194 173.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -76.37 91.59 3.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.846 -0.615 . . . . 1.8999999999999999 110.242 -178.458 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -92.85 111.79 23.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.891 -0.595 . . . . 1.9299999999999999 109.815 178.064 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.5 140.45 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.981 -0.554 . . . . 0.46999999999999997 110.235 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.552 HD11 HG13 ' A' ' 863' ' ' VAL . 3.0 mt -94.21 103.75 15.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 1.3700000000000001 109.869 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 1.02 ' HB ' HD13 ' A' ' 840' ' ' LEU . 2.4 m -97.93 94.79 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.385 -0.825 . . . . 1.0600000000000001 109.635 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 854' ' ' ALA . 6.0 t -103.06 143.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.401 -0.818 . . . . 1.0700000000000001 110.094 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -158.9 143.87 16.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.611 -0.514 . . . . 1.3 109.611 175.138 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 832' ' ' ASP . . . . . 0.539 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -90.24 -21.18 22.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.033 0.383 . . . . 2.0299999999999998 112.033 -176.597 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.34 92.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 2.1200000000000001 109.795 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.618 ' HA ' ' HB2' ' A' ' 837' ' ' ARG . 96.2 Cg_exo -44.23 -22.61 0.56 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 125.001 3.8 . . . . 1.1200000000000001 116.16 -165.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.597 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -56.69 -37.63 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.269 0.557 . . . . 2.2599999999999998 110.211 176.139 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.99 -36.26 30.94 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.731 -0.388 . . . . 1.8300000000000001 110.044 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.758 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 2.3 ttp180 -54.21 -44.17 71.4 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.369 0.418 . . . . 2.7799999999999998 111.375 176.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.23 -33.36 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 2.75 110.456 178.293 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.67 -50.35 69.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.217 -0.447 . . . . 1.1399999999999999 111.046 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 1.02 HD13 ' HB ' ' A' ' 829' ' ' VAL . 1.5 pp -69.23 -26.96 65.06 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 110.378 -0.231 . . . . 1.4299999999999999 110.378 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.15 87.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.602 0.715 . . . . 0.59999999999999998 109.399 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.09 -49.14 20.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.857 -1.065 . . . . 1.3400000000000001 110.947 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -52.34 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 1.8500000000000001 111.682 -176.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -38.62 88.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.025 0.44 . . . . 1.24 110.251 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -59.41 -34.81 82.53 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.743 -0.662 . . . . 0.52000000000000002 112.72 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 34.4 m -70.94 -25.82 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.962 0.411 . . . . 0.69999999999999996 110.507 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.542 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -72.06 -17.87 61.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 1.5600000000000001 110.421 176.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.0 9.6 80.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.849 -0.614 . . . . 0.62 112.656 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.38 160.41 14.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.814 0.34 . . . . 1.22 111.194 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.486 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 30.6 mt-30 -74.02 110.15 8.09 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.126 -0.488 . . . . 2.3799999999999999 110.222 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 109.59 20.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.498 -0.319 . . . . 0.93999999999999995 110.596 -179.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.482 ' HE2' ' HB3' ' A' ' 826' ' ' MET . 2.5 mptt -101.38 109.49 21.33 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.673 -0.862 . . . . 1.4399999999999999 108.673 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -89.61 133.76 34.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.132 0.491 . . . . 0.62 111.764 -171.55 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -139.51 172.45 12.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.605 -0.725 . . . . 0.46999999999999997 109.763 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 38.0 t30 -149.33 74.5 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.001 -0.28 . . . . 1.8999999999999999 111.207 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 0.7 OUTLIER 161.38 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.275 0.984 . . . . 1.45 109.471 169.448 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -71.78 -40.15 58.64 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.302 -0.951 . . . . 0.57999999999999996 111.06 172.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.47 ' HA ' HD23 ' A' ' 861' ' ' LEU . 27.0 m -73.93 -29.33 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.709 0.29 . . . . 0.94999999999999996 110.742 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.63 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 36.9 t0 -56.27 -36.44 68.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.305 -0.407 . . . . 0.83999999999999997 110.26 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.32 90.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.645 -0.707 . . . . 0.51000000000000001 110.892 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 890' ' ' ILE . 1.7 mm? -59.61 -46.15 89.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.335 0.588 . . . . 1.8500000000000001 110.358 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 -52.14 65.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.998 -1.001 . . . . 1.72 111.315 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.7 -32.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.601 -0.272 . . . . 0.89000000000000001 111.433 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 872' ' ' VAL . 5.3 mt -65.8 -32.07 73.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.002 0.429 . . . . 1.6599999999999999 110.976 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.0 m -80.17 -27.54 38.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 0.81999999999999995 110.756 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -55.8 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 3.46 111.185 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -122.27 159.35 27.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.713 -0.477 . . . . 1.8600000000000001 109.713 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -87.9 132.86 34.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.478 -0.489 . . . . 3.1200000000000001 111.017 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.7 mp -132.26 142.26 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.184 -0.916 . . . . 1.0600000000000001 109.423 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -82.66 -52.04 7.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.008 0.373 . . . . 1.6399999999999999 112.008 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 142.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 1.03 110.594 -178.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 864' ' ' LEU . 77.9 t -119.5 132.18 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.8 -0.36 . . . . 0.67000000000000004 111.101 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -129.15 120.25 25.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.87 -0.419 . . . . 0.87 109.87 173.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.619 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.4 p -109.48 109.75 20.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.469 -0.332 . . . . 0.72999999999999998 110.814 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.784 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -86.24 110.2 19.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.81 -0.632 . . . . 1.3400000000000001 109.95 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.915 HG13 ' HD2' ' A' ' 879' ' ' PRO . 1.0 OUTLIER -123.99 124.52 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.949 -0.569 . . . . 1.29 110.845 -174.419 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.701 ' HB3' ' HE3' ' A' ' 925' ' ' LYS . 0.0 OUTLIER -127.45 -34.35 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 2.5499999999999998 111.1 175.754 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.807 ' HB3' ' HD3' ' A' ' 879' ' ' PRO . 1.8 ttm -56.85 -54.85 49.81 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 121.087 -0.245 . . . . 3.6600000000000001 111.124 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.915 ' HD2' HG13 ' A' ' 876' ' ' VAL . 3.3 Cg_exo -81.57 55.86 5.72 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.456 2.104 . . . . 3.48 112.008 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -82.06 -28.15 32.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 4.8700000000000001 111.018 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.21 5.28 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.93 0.872 . . . . 5.5800000000000001 109.097 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -117.43 -111.58 0.35 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.096 -1.411 . . . . 4.9900000000000002 107.404 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 885' ' ' ARG . . . 75.02 -149.12 38.93 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.598 -0.811 . . . . 3.04 112.823 172.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.871 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 10.5 p90 46.68 -70.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.505 1.522 . . . . 2.8399999999999999 113.586 -172.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.73 -26.85 47.46 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.329 -0.851 . . . . 3.3599999999999999 112.919 -164.134 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.318 1.056 . . . . 2.3399999999999999 109.177 -172.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.984 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 90.8 m -77.65 -26.82 50.74 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.423 -1.262 . . . . 1.28 108.922 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 1.4 tm0? -59.12 -40.48 85.53 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.127 -0.694 . . . . 2.1699999999999999 109.127 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.78 91.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.711 -0.677 . . . . 2.3599999999999999 110.918 174.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.855 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -62.07 -32.33 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.16 0.505 . . . . 1.71 110.711 176.088 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.511 ' HD3' ' OE1' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -75.06 -32.01 61.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.052 -0.522 . . . . 2.2400000000000002 110.733 178.268 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.511 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 20.2 mm100 -67.35 -27.93 67.54 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.126 0.489 . . . . 2.6200000000000001 110.185 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -48.94 62.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 1.9099999999999999 109.543 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.03 60.33 0.97 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.872 -0.68 . . . . 1.1200000000000001 112.034 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.583 HD22 HG23 ' A' ' 890' ' ' ILE . 1.3 pt? -89.67 147.88 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.129 0.49 . . . . 2.8900000000000001 111.027 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -34.55 18.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.647 -0.706 . . . . 2.4900000000000002 111.761 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 895' ' ' LEU . 0.8 OUTLIER -77.52 157.21 80.34 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.609 -0.723 . . . . 1.3999999999999999 111.837 -171.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 148.38 23.51 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 123.287 2.658 . . . . 0.72999999999999998 113.367 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 80.4 t -119.59 128.58 75.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.285 -0.871 . . . . 0.64000000000000001 110.648 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -100.41 105.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.622 -0.717 . . . . 0.64000000000000001 109.717 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 901' ' ' GLY . . . . . 0.607 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -88.36 101.04 2.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.898 -0.668 . . . . 0.47999999999999998 112.454 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.1 t -76.38 122.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 35.7 p -128.47 153.47 47.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.788 0.328 . . . . 0.89000000000000001 111.491 -171.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.99 110.27 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.355 -0.384 . . . . 1.1899999999999999 111.643 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.81 56.36 1.13 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.495 0.554 . . . . 2.7000000000000002 112.495 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -108.02 -28.19 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.853 0.358 . . . . 2.8100000000000001 110.583 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.9 mt 64.03 18.76 11.41 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.563 -0.744 . . . . 3.9300000000000002 111.443 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.05 29.11 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 2.0899999999999999 109.274 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 51.0 mp0 -60.06 -53.06 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.888 . . . . 3.3100000000000001 111.23 -175.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -63.59 -35.66 81.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 3.5800000000000001 110.41 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.29 110.97 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.871 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 7.5 mt-30 -70.33 -39.44 74.74 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.056 -0.72 . . . . 2.6499999999999999 109.056 176.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.478 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -62.13 -26.94 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 4.0499999999999998 110.535 178.019 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 40.0 m -74.97 -43.6 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 1.6499999999999999 110.373 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -52.8 22.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.869 -0.605 . . . . 1.8799999999999999 111.598 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.984 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.26 -38.34 35.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 3.4700000000000002 110.817 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.3 m 52.27 52.59 13.96 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.002 1.112 . . . . 1.3500000000000001 114.002 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.416 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -125.02 1.83 8.42 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 119.636 -1.269 . . . . 1.02 111.957 174.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 4.7 mtm -92.04 -124.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 2.0099999999999998 111.833 -173.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.7 t70 171.0 -55.22 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.804 -1.089 . . . . 1.26 108.179 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 157.56 44.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.372 -0.831 . . . . 1.26 109.787 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 81.6 m -121.43 146.35 46.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.74 0.305 . . . . 1.1299999999999999 110.513 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 935' ' ' THR . 76.9 mt -131.0 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.68999999999999995 110.442 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.86 144.54 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.89 -0.411 . . . . 0.89000000000000001 109.89 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.701 ' HE3' ' HB3' ' A' ' 877' ' ' ASN . 2.4 ttmm -50.22 -42.23 71.26 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 113.546 0.943 . . . . 1.1100000000000001 113.546 -176.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.5 Cg_endo -65.88 61.18 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.028 1.819 . . . . 1.01 113.476 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 927' ' ' VAL . . . . . 0.407 ' HB ' HD12 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -85.96 79.5 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 1.3600000000000001 110.617 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.47 174.04 7.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.993 -0.549 . . . . 0.92000000000000004 110.53 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.01 -38.57 62.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.684 0.278 . . . . 0.92000000000000004 111.426 -177.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 930' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 9.8 t70 -63.29 -56.74 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.068 0.461 . . . . 1.8500000000000001 110.368 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 29.2 t -66.0 -42.76 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.428 -0.806 . . . . 0.93000000000000005 111.391 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.2 tt -64.54 -31.07 52.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.1799999999999999 111.021 -177.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -32.57 61.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.12 -0.232 . . . . 1.8999999999999999 110.731 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 66.3 mt-30 -55.59 -55.71 28.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.421 0.629 . . . . 2.25 109.916 174.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 935' ' ' THR . . . . . 0.461 HG21 HD11 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -69.83 -41.43 74.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.33 -0.85 . . . . 0.62 111.88 -177.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.83 -0.168 . . . . 0.85999999999999999 111.303 -177.435 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 70.6 m -62.64 -44.46 96.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.581 0.229 . . . . 0.87 111.316 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -40.72 92.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.053 0.454 . . . . 1.4199999999999999 110.936 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.3 OUTLIER -71.28 -41.81 69.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.183 -0.462 . . . . 1.5900000000000001 111.514 -177.021 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -61.32 -40.58 94.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 0.60999999999999999 110.814 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.21 -38.73 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 1.8700000000000001 110.192 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -63.13 -48.07 80.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 3.1099999999999999 110.818 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.27 -30.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.566 -0.288 . . . . 0.75 110.294 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -57.5 -45.06 85.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.058 0.456 . . . . 3.5800000000000001 109.932 175.556 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -70.47 -44.06 68.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.619 -0.719 . . . . 2.7799999999999998 110.807 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -60.07 -39.78 87.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.024 0.44 . . . . 1.3400000000000001 111.47 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -59.44 2.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.407 . . . . 3.5299999999999998 110.966 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 38.0 t70 63.11 -85.0 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.87 0.731 . . . . 2.6400000000000001 109.086 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.779 -0.822 . . . . 5.0899999999999999 108.779 174.19 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.951 0.405 . . . . 7.0099999999999998 110.753 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -92.0 46.56 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.141 0.496 . . . . 5.3499999999999996 110.784 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.68 117.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 5.29 109.462 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.67 163.02 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.166 -0.47 . . . . 4.7199999999999998 111.278 -173.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.05 172.75 8.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.756 -0.656 . . . . 4.7400000000000002 110.01 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -163.5 111.79 1.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.892 0.377 . . . . 4.8600000000000003 111.847 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -79.84 71.39 6.51 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.714 -0.847 . . . . 5.0800000000000001 108.714 169.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.86 62.95 4.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.248 -0.887 . . . . 3.9900000000000002 110.915 -174.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 26.5 mtp -104.47 121.79 44.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.312 -0.858 . . . . 1.8999999999999999 110.943 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.9 ptp -109.81 133.17 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.282 -0.872 . . . . 1.9299999999999999 110.292 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.999 ' HB ' HD21 ' A' ' 844' ' ' LEU . 3.9 mm -121.2 143.42 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.323 0.583 . . . . 0.46999999999999997 110.531 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 863' ' ' VAL . 0.1 OUTLIER -94.76 118.04 31.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.592 -0.731 . . . . 1.3700000000000001 110.484 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.581 HG13 HD22 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -106.62 98.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.29 0.567 . . . . 1.0600000000000001 109.787 177.16 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 854' ' ' ALA . 19.7 t -109.36 137.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.718 -0.674 . . . . 1.0700000000000001 110.474 -177.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.537 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 6.5 t0 -144.68 130.93 19.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.106 -0.702 . . . . 1.3 109.106 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.01 -13.19 61.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.044 0.449 . . . . 2.0299999999999998 111.13 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.562 ' HB3' ' HD2' ' A' ' 834' ' ' PRO . 47.3 m170 -116.34 -176.08 0.35 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.387 -0.598 . . . . 2.1200000000000001 109.387 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 833' ' ' HIS . 84.8 Cg_endo -94.69 -32.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.643 1.562 . . . . 1.1200000000000001 114.646 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 1.4 pt -69.22 -42.59 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.272 0.471 . . . . 2.2599999999999998 112.272 -171.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.01 -22.7 48.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.779 -0.452 . . . . 1.8300000000000001 109.779 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 8.2 ttm180 -63.14 -52.58 61.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.266 -0.425 . . . . 2.7799999999999998 110.545 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.1 OUTLIER -66.28 -30.22 70.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.522 -0.308 . . . . 2.75 110.85 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.84 53.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 1.1399999999999999 111.015 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' A' ' 829' ' ' VAL . 15.1 tp -66.92 -46.37 75.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.847 -0.615 . . . . 1.4299999999999999 110.922 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.66 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.59999999999999998 110.733 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 842' ' ' ASP . . . . . 0.58 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 5.4 t0 -66.25 -46.68 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.3400000000000001 110.04 176.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.49 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.7 OUTLIER -57.96 -48.36 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.575 -0.739 . . . . 1.8500000000000001 110.522 177.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.999 HD21 ' HB ' ' A' ' 827' ' ' ILE . 13.7 tp -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.805 -0.634 . . . . 1.24 111.155 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -69.12 -21.76 75.73 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.816 -0.707 . . . . 0.52000000000000002 112.127 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 49.5 m -82.97 -19.5 36.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.423 0.154 . . . . 0.69999999999999996 111.354 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 844' ' ' LEU . 1.2 pp -96.49 -10.71 26.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.432 -0.507 . . . . 1.5600000000000001 110.623 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.72 28.8 13.11 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.782 -0.723 . . . . 0.62 114.198 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' TYR . . . . . 0.418 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 1.1 m-30 -111.63 155.87 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.613 0.707 . . . . 1.22 110.914 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 850' ' ' GLN . 2.4 mp0 -65.79 112.3 3.66 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.99 -0.55 . . . . 2.3799999999999999 111.013 -175.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.634 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.46 105.47 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.206 -0.452 . . . . 0.93999999999999995 111.648 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.4 115.07 27.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.569 -0.53 . . . . 1.4399999999999999 109.569 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.99 136.99 32.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.646 0.61 . . . . 0.62 112.646 -172.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.834 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.8 165.25 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.707 -0.849 . . . . 0.46999999999999997 108.707 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.6 p-10 -136.1 72.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.031 -0.668 . . . . 1.8999999999999999 112.2 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.806 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 34.1 t0 162.83 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.008 -0.997 . . . . 1.45 109.385 171.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.984 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.03 -43.36 93.63 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.357 -0.925 . . . . 0.57999999999999996 111.288 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -74.3 -28.74 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.91 -0.171 . . . . 0.94999999999999996 110.641 177.644 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 24.6 t0 -56.1 -40.81 74.23 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.7 -0.482 . . . . 0.83999999999999997 109.7 172.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 864' ' ' LEU . . . -56.98 -47.33 81.04 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.684 -0.689 . . . . 0.51000000000000001 110.274 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.47 -39.37 73.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.072 -0.513 . . . . 1.8500000000000001 111.047 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -63.6 -50.23 70.24 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.949 -0.569 . . . . 1.72 110.661 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -34.23 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.818 -0.628 . . . . 0.89000000000000001 110.721 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 860' ' ' ALA . 75.3 mt -69.07 -32.05 71.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.988 0.423 . . . . 1.6599999999999999 110.753 177.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 47.5 m -64.55 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.81999999999999995 110.249 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -83.49 -59.48 2.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.269 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 867' ' ' ASN . . . . . 0.506 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 36.9 t30 -125.47 138.41 53.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.817 -0.629 . . . . 1.8600000000000001 109.899 -174.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -57.5 -53.75 54.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 3.1200000000000001 112.349 -174.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 8.2 mm 66.36 149.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 123.316 0.385 . . . . 1.0600000000000001 110.329 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.04 -64.77 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.785 -0.572 . . . . 1.6399999999999999 111.302 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.627 ' HB ' HG23 ' A' ' 827' ' ' ILE . 9.1 mm -110.99 136.73 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.245 -0.434 . . . . 1.03 110.015 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 828' ' ' LEU . 63.5 t -118.83 127.53 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.957 -0.297 . . . . 0.67000000000000004 111.211 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.55 102.3 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.749 -0.463 . . . . 0.87 109.749 174.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.591 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -99.65 106.63 18.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.223 -0.444 . . . . 0.72999999999999998 110.782 -178.667 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 45.0 t0 -84.48 132.52 34.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.746 . . . . 1.3400000000000001 111.418 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.33 128.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 1.29 110.395 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.453 ' CA ' ' HE3' ' A' ' 925' ' ' LYS . 0.1 OUTLIER -93.33 -6.99 46.11 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.547 0.689 . . . . 2.5499999999999998 109.423 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.425 ' HG3' ' HB3' ' A' ' 881' ' ' MET . 5.9 tpt -131.47 63.97 71.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 115.202 -0.908 . . . . 3.6600000000000001 111.551 -171.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.423 ' HG2' ' HB3' ' A' ' 906' ' ' ALA . 58.1 Cg_endo -72.72 -22.74 20.17 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.223 1.949 . . . . 3.48 111.546 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -64.11 -33.12 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.44 -0.8 . . . . 4.8700000000000001 110.16 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.425 ' HB3' ' HG3' ' A' ' 878' ' ' MET . 25.3 ttp -85.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.522 -0.763 . . . . 5.5800000000000001 109.445 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -167.9 98.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.186 0.517 . . . . 4.9900000000000002 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -124.67 9.01 8.18 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.372 -1.091 . . . . 3.04 110.372 172.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 4.6 p90 -119.75 -50.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.847 -0.677 . . . . 2.8399999999999999 111.381 -174.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -58.2 -27.83 64.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.65 0.738 . . . . 3.3599999999999999 111.39 -165.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.984 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -72.6 -28.63 62.9 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.219 -0.9 . . . . 2.3399999999999999 109.475 -174.66 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.881 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 22.4 m -76.33 -27.45 56.51 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 114.642 -1.163 . . . . 1.28 108.798 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.765 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 31.7 tt0 -63.16 -37.36 86.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.497 -0.774 . . . . 2.1699999999999999 109.252 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -39.83 93.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.578 -0.737 . . . . 2.3599999999999999 110.256 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 899' ' ' VAL . 0.4 OUTLIER -60.69 -38.53 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.868 0.365 . . . . 1.71 110.781 176.523 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.577 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -74.81 -30.63 61.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 2.2400000000000002 110.766 -179.041 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.73 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 2.6200000000000001 110.928 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -30.04 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 1.9099999999999999 110.643 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.92 71.56 0.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.003 -0.839 . . . . 1.1200000000000001 111.003 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.2 pt? -66.67 126.63 29.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.439 0.638 . . . . 2.8900000000000001 111.881 -173.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 47.77 1.44 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.404 -0.816 . . . . 2.4900000000000002 109.444 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 898' ' ' PRO . 0.7 OUTLIER -168.91 143.22 2.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.135 -0.938 . . . . 1.3999999999999999 109.758 -173.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 7.3 Cg_exo -73.41 124.27 9.28 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.699 2.266 . . . . 0.72999999999999998 111.612 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 16.1 t -99.87 109.77 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.609 0.719 . . . . 0.64000000000000001 110.635 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.19 108.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.626 -0.716 . . . . 0.64000000000000001 109.485 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 901' ' ' GLY . . . . . 0.567 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -91.96 101.85 2.85 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 111.177 -0.769 . . . . 0.47999999999999998 111.177 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 923' ' ' LEU . 3.7 p -99.06 129.1 49.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.804 -0.813 . . . . 1.04 108.804 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.3 p -143.59 162.85 34.81 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.362 -0.535 . . . . 0.89000000000000001 112.186 -168.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -87.44 128.77 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.618 -0.719 . . . . 1.1899999999999999 109.182 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -58.87 111.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.569 0.543 . . . . 2.7000000000000002 111.526 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.423 ' HB3' ' HG2' ' A' ' 879' ' ' PRO . . . -120.91 -7.06 9.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 2.8100000000000001 110.444 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 67.74 30.31 6.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.443 -0.799 . . . . 3.9300000000000002 111.849 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -135.86 -12.56 1.97 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.825 0.822 . . . . 2.0899999999999999 110.067 175.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 909' ' ' GLU . 16.8 pm0 -69.5 -19.97 63.72 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.034 -0.985 . . . . 3.3100000000000001 111.901 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.515 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -66.43 -50.89 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.118 -0.327 . . . . 3.5800000000000001 110.118 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -30.7 69.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.486 . . . . 2.29 110.733 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.755 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -72.49 -36.55 68.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.4 -0.52 . . . . 2.6499999999999999 110.566 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.641 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 4.3 ttm180 -68.05 -27.96 66.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.494 . . . . 4.0499999999999998 110.163 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.75 -33.42 70.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.6499999999999999 110.028 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 915' ' ' LEU . 7.5 mt -71.96 -53.23 13.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.971 -0.559 . . . . 1.8799999999999999 112.021 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.881 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -78.64 -43.69 25.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.686 -0.405 . . . . 3.4700000000000002 111.002 -176.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.9 m 45.51 52.2 9.3 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.979 1.103 . . . . 1.3500000000000001 113.979 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.14 -0.32 8.15 Favored Glycine 0 C--N 1.316 -0.531 0 C-N-CA 119.728 -1.225 . . . . 1.02 112.353 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.904 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 7.0 mtt -75.21 -112.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.288 0.477 . . . . 2.0099999999999998 112.288 -172.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.5 t70 163.27 -51.91 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 114.875 -1.057 . . . . 1.26 108.399 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.78 166.56 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.48 -0.782 . . . . 1.26 110.325 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 72.6 m -135.17 129.51 33.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.527 -0.306 . . . . 1.1299999999999999 110.294 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 1.069 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.5 OUTLIER -126.95 -174.49 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.162 -0.472 . . . . 0.68999999999999995 110.193 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 1.6 m -117.96 138.18 52.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.353 -0.385 . . . . 0.89000000000000001 110.152 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.502 ' HG3' ' OD2' ' A' ' 875' ' ' ASP . 2.1 ttmm -30.03 -54.34 0.34 Allowed Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 114.773 1.397 . . . . 1.1100000000000001 114.773 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 53.2 Cg_endo -70.45 69.0 2.06 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.678 1.585 . . . . 1.01 113.56 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.81 102.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 1.3600000000000001 110.299 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.41 -179.66 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 0.92000000000000004 111.415 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -59.11 -47.03 86.77 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.241 0.46 . . . . 0.92000000000000004 112.241 -173.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -37.63 54.84 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.872 -0.331 . . . . 1.8500000000000001 110.82 -175.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.93000000000000005 110.449 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 843' ' ' GLN . 2.3 tt -68.6 -28.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.1799999999999999 110.508 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -70.47 -48.2 56.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.605 -0.27 . . . . 1.8999999999999999 111.437 -177.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.29 87.98 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.487 -0.485 . . . . 2.25 110.444 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -48.5 72.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.612 0.244 . . . . 0.62 111.009 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -59.54 -49.64 76.98 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.85999999999999999 110.461 179.181 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 68.6 m -63.01 -44.18 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 0.87 111.564 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.85 80.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 1.4199999999999999 110.951 -178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.82 -26.5 59.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 1.5900000000000001 111.346 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.26 67.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.084 -0.339 . . . . 0.60999999999999999 110.084 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 1.8700000000000001 110.223 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -47.77 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.489 -0.323 . . . . 3.1099999999999999 111.003 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.29 -30.18 38.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 121.017 -0.273 . . . . 0.75 110.928 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -67.8 -37.2 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.516 -0.55 . . . . 3.5800000000000001 109.516 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 9.6 mtmt -65.1 -44.87 87.38 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.526 . . . . 2.7799999999999998 110.365 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 8.5 m -63.03 -27.75 69.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.076 0.465 . . . . 1.3400000000000001 111.023 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.05 -61.75 1.87 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 3.5299999999999998 111.592 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -82.63 -14.66 54.34 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.902 -0.319 . . . . 2.6400000000000001 111.352 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.962 -0.542 . . . . 5.0899999999999999 111.376 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.163 -0.31 . . . . 7.0099999999999998 110.163 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -143.89 121.57 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.89 0.376 . . . . 5.3499999999999996 111.019 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.64 127.26 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.995 -0.548 . . . . 5.29 109.791 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.74 90.42 2.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.75 0.31 . . . . 4.7199999999999998 111.198 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.73 -178.51 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 4.7400000000000002 110.385 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -149.58 -60.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.342 0.591 . . . . 4.8600000000000003 109.797 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' A' ' 824' ' ' ASP . 6.0 t70 -169.03 -104.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.717 -1.128 . . . . 5.0800000000000001 108.98 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.662 ' HB3' ' HE1' ' A' ' 849' ' ' TYR . 13.0 t0 167.47 -50.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.11 0.881 . . . . 3.9900000000000002 109.877 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.65 141.33 33.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 1.8999999999999999 111.459 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.0 mtt -102.47 117.68 35.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 1.9299999999999999 110.318 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.422 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.9 mm -108.88 133.66 53.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.891 -0.595 . . . . 0.46999999999999997 110.198 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.95 ' HB2' HG21 ' A' ' 869' ' ' ILE . 55.1 tp -99.43 115.57 29.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.998 -0.546 . . . . 1.3700000000000001 110.47 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.667 ' HB ' HD21 ' A' ' 840' ' ' LEU . 3.6 m -101.7 95.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.433 0.635 . . . . 1.0600000000000001 109.953 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.811 HG22 ' HG ' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -106.56 81.84 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.897 -0.592 . . . . 1.0700000000000001 111.91 -172.495 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.476 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 23.1 t0 -113.37 128.21 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.732 -0.387 . . . . 1.3 110.022 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 832' ' ' ASP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 28.8 t70 -65.34 -35.25 80.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 2.0299999999999998 111.835 -178.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -92.28 122.13 65.28 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 2.1200000000000001 110.735 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.95 -53.12 7.09 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.714 2.943 . . . . 1.1200000000000001 114.478 -174.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -29.73 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.012 0.434 . . . . 2.2599999999999998 111.114 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.476 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 11.9 m120 -79.4 -32.76 43.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.653 -0.499 . . . . 1.8300000000000001 109.653 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 831' ' ' ASP . 28.3 ttm180 -61.29 -53.17 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 2.7799999999999998 110.54 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.0 OUTLIER -64.5 -27.77 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 2.75 110.611 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 839' ' ' LEU . 4.9 mt -70.55 -52.07 24.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 1.1399999999999999 111.003 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.667 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -66.75 -31.23 71.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 1.4299999999999999 110.494 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.22 60.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.153 -0.476 . . . . 0.59999999999999998 110.63 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 4.1 t70 -71.85 -44.31 64.04 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.398 -0.593 . . . . 1.3400000000000001 109.398 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.766 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -61.62 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.366 -0.834 . . . . 1.8500000000000001 109.988 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.65 90.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.65 -0.704 . . . . 1.24 110.363 176.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.39 77.38 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.554 -0.748 . . . . 0.52000000000000002 112.431 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.3 m -68.3 -28.35 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.999 0.428 . . . . 0.69999999999999996 109.946 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -44.91 61.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 1.5600000000000001 110.161 174.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.21 21.57 22.27 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.699 -0.762 . . . . 0.62 112.352 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' TYR . . . . . 0.662 ' HE1' ' HB3' ' A' ' 824' ' ' ASP . 1.2 m-85 -98.58 169.15 9.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.708 0.29 . . . . 1.22 110.979 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 4.8 tp60 -66.95 123.46 20.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 2.3799999999999999 110.126 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 123.54 45.45 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.521 -0.309 . . . . 0.93999999999999995 110.64 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 124.67 51.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.417 -0.586 . . . . 1.4399999999999999 109.417 175.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.489 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.7 OUTLIER -90.43 141.9 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.62 112.088 -173.793 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.734 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.24 178.12 10.53 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.767 -0.827 . . . . 0.46999999999999997 108.767 176.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.559 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.8 OUTLIER -159.46 74.25 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.16 -0.616 . . . . 1.8999999999999999 112.337 -176.108 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.602 ' H ' HG12 ' A' ' 830' ' ' VAL . 21.8 t70 164.98 152.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.887 0.742 . . . . 1.45 110.187 174.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.647 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -63.79 -47.95 81.39 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.015 -0.612 . . . . 0.57999999999999996 112.438 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.6 HG22 ' OD2' ' A' ' 856' ' ' ASP . 2.3 m -74.24 -30.39 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.94999999999999996 110.576 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 31.7 t0 -64.22 -32.35 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.049 0.452 . . . . 0.83999999999999997 110.107 176.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.04 86.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 0.51000000000000001 111.357 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.638 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.8 OUTLIER -74.2 -28.24 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.662 0.267 . . . . 1.8500000000000001 110.551 178.691 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.4 -55.31 32.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.873 -0.603 . . . . 1.72 110.298 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.12 -30.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.89000000000000001 110.115 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 872' ' ' VAL . 1.2 mt -61.13 -32.59 72.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 1.6599999999999999 111.089 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 37.5 m -82.88 -19.53 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.331 -0.395 . . . . 0.81999999999999995 110.996 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 4.93 31.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.308 . . . . 3.46 111.82 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -168.69 140.37 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.144 -0.317 . . . . 1.8600000000000001 110.144 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -74.88 106.5 6.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.291 . . . . 3.1200000000000001 110.922 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.2 mt -113.1 141.87 27.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.269 -0.641 . . . . 1.0600000000000001 109.269 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.32 -54.22 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.95 0.405 . . . . 1.6399999999999999 111.169 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.422 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.2 mm -105.7 121.5 58.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 1.03 110.043 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 864' ' ' LEU . 62.6 t -113.94 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.646 -0.421 . . . . 0.67000000000000004 111.259 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.45 108.07 13.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.87 110.203 177.78 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.17 108.19 20.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.303 0.573 . . . . 0.72999999999999998 110.528 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 3.8 t0 -90.36 106.53 18.55 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.386 -0.825 . . . . 1.3400000000000001 110.278 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.7 91.18 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.242 -0.89 . . . . 1.29 111.294 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -94.77 22.19 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.613 0.72 . . . . 2.5499999999999998 109.409 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -126.22 107.89 24.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.072 -0.967 . . . . 3.6600000000000001 109.652 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -90.78 48.52 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.829 2.353 . . . . 3.48 113.186 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.87 30.25 7.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.449 . . . . 4.8700000000000001 111.175 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.431 ' HG2' ' N ' ' A' ' 882' ' ' ASP . 0.0 OUTLIER -161.25 146.07 13.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.382 -0.599 . . . . 5.5800000000000001 109.382 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -55.18 129.53 38.57 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.923 -0.769 . . . . 4.9900000000000002 108.923 173.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -72.03 63.58 1.29 Allowed Glycine 0 C--O 1.228 -0.278 0 O-C-N 123.377 0.423 . . . . 3.04 113.363 -171.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 1.045 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 3.0 p90 -167.48 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.695 0.759 . . . . 2.8399999999999999 111.465 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.44 -25.38 59.55 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.437 -0.801 . . . . 3.3599999999999999 112.276 -161.313 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.647 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.6 OUTLIER -65.6 -36.5 83.92 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.993 0.901 . . . . 2.3399999999999999 108.609 -171.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.8 m -78.52 -28.53 46.22 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.216 -1.357 . . . . 1.28 110.358 177.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.478 ' HG2' ' HD3' ' A' ' 885' ' ' ARG . 2.1 tp60 -60.93 -40.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.181 0.515 . . . . 2.1699999999999999 109.645 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -70.54 -35.45 73.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.043 -0.526 . . . . 2.3599999999999999 110.677 178.664 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -65.51 -31.73 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.146 0.498 . . . . 1.71 110.499 175.32 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.48 -40.3 73.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 2.2400000000000002 110.111 177.153 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 2.6200000000000001 110.649 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -36.01 74.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.846 -0.615 . . . . 1.9099999999999999 110.903 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 109.81 81.54 1.26 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.921 -0.657 . . . . 1.1200000000000001 111.736 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -84.65 148.3 26.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.539 . . . . 2.8900000000000001 111.423 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.54 39.32 0.88 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 2.4900000000000002 109.337 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.65 162.23 27.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.553 -0.749 . . . . 1.3999999999999999 110.317 -173.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.94 118.04 5.39 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.6 2.2 . . . . 0.72999999999999998 112.67 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.874 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 35.9 t -104.9 118.76 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.428 0.632 . . . . 0.64000000000000001 110.299 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 1.5 mp -111.34 111.08 34.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.619 -0.719 . . . . 0.64000000000000001 110.064 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.44 113.34 4.54 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.563 -0.827 . . . . 0.47999999999999998 112.019 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -87.03 98.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.03 -0.73 . . . . 1.04 109.03 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 126.24 52.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.738 -0.665 . . . . 0.89000000000000001 112.032 -171.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 905' ' ' ASN . . . -78.12 134.68 37.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 1.1899999999999999 109.202 171.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 905' ' ' ASN . . . . . 0.434 ' HB3' ' O ' ' A' ' 904' ' ' ALA . 48.6 t30 76.13 -50.77 0.61 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.195 0.598 . . . . 2.7000000000000002 111.174 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 65.45 -89.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.116 0.567 . . . . 2.8100000000000001 111.127 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.02 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.751 0.657 . . . . 3.9300000000000002 111.869 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.32 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.885 0.474 . . . . 2.0899999999999999 111.143 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.516 ' HB3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER 35.98 -111.47 0.07 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.518 1.136 . . . . 3.3100000000000001 113.82 168.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.516 ' H ' ' HB3' ' A' ' 909' ' ' GLU . 5.2 mt-10 -60.88 -34.12 74.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.37 -0.832 . . . . 3.5800000000000001 112.064 -172.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.434 ' HE2' HD12 ' A' ' 915' ' ' LEU . 0.1 OUTLIER -68.63 -46.74 68.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.606 -0.438 . . . . 2.29 110.7 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 1.045 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.69 -29.17 58.92 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.002 -1.079 . . . . 2.6499999999999999 109.879 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.502 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 10.1 ttm180 -62.01 -35.14 77.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.034 0.445 . . . . 4.0499999999999998 110.323 174.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 -26.55 61.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.76 -0.459 . . . . 1.6499999999999999 109.76 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.609 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -69.34 -51.45 36.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.687 -0.688 . . . . 1.8799999999999999 111.313 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.88 -36.45 59.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.982 0.42 . . . . 3.4700000000000002 110.5 178.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.73 49.37 20.47 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.401 0.889 . . . . 1.3500000000000001 113.401 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.92 6.8 1.02 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 119.56 -1.305 . . . . 1.02 113.613 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.874 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.6 OUTLIER -82.39 -117.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.844 0.355 . . . . 2.0099999999999998 111.778 -173.448 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 919' ' ' MET . 15.1 t0 167.13 -57.21 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.409 -0.96 . . . . 1.26 108.409 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 900' ' ' ILE . 45.4 m -150.24 134.4 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.726 -0.67 . . . . 1.26 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.14 138.22 47.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 1.1299999999999999 109.947 175.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -175.13 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.41 -0.359 . . . . 0.68999999999999995 110.218 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -99.24 151.77 20.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.995 -0.548 . . . . 0.89000000000000001 109.942 178.485 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 2.5 tptp -51.87 -48.55 87.53 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.997 0.74 . . . . 1.1100000000000001 112.997 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.0 Cg_endo -72.02 63.02 3.31 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.037 1.824 . . . . 1.01 113.533 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 927' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 924' ' ' SER . 12.5 t -82.86 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 1.3600000000000001 110.009 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.7 171.94 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.92000000000000004 111.293 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.9 OUTLIER -56.91 -34.74 68.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.997 -0.547 . . . . 0.92000000000000004 110.724 177.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -50.6 61.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.8500000000000001 110.305 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.89 -46.76 93.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.93000000000000005 110.757 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.766 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.3 OUTLIER -65.05 -27.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.184 -0.462 . . . . 1.1799999999999999 111.434 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -48.64 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.207 -0.197 . . . . 1.8999999999999999 111.236 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.84 -35.29 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 2.25 110.49 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 96.2 m -65.32 -46.67 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.691 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -62.29 -45.29 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.85999999999999999 110.81 178.332 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 8.0 m -62.63 -42.39 99.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.87 111.27 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -42.55 96.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.716 0.293 . . . . 1.4199999999999999 111.367 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 20.4 m-30 -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.697 -0.229 . . . . 1.5900000000000001 111.295 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.53 89.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.325 0.583 . . . . 0.60999999999999999 109.576 173.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.65 78.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.407 -0.815 . . . . 1.8700000000000001 109.899 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -63.5 -46.84 84.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 3.1099999999999999 110.752 -177.75 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.558 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 2.8 m -70.66 -31.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.618 -0.433 . . . . 0.75 110.546 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 3.5800000000000001 110.293 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -74.92 -40.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 2.7799999999999998 111.234 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 24.3 m -69.39 -26.37 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 1.3400000000000001 111.173 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.35 -45.46 12.75 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.866 0.365 . . . . 3.5299999999999998 110.158 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 5.5 t0 70.44 -7.72 0.98 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.279 -0.873 . . . . 2.6400000000000001 112.358 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.82 -0.61 . . . . 5.0899999999999999 109.724 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.766 -0.457 . . . . 7.0099999999999998 109.766 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -133.51 113.17 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.29 -0.263 . . . . 5.3499999999999996 110.29 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 819' ' ' VAL . 0.0 OUTLIER -64.34 106.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.415 0.626 . . . . 5.29 110.784 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.16 39.05 1.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 4.7199999999999998 110.812 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.84 105.21 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.857 -0.61 . . . . 4.7400000000000002 109.726 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -68.8 0.48 Allowed 'General case' 0 CA--C 1.502 -0.865 0 CA-C-O 121.277 0.561 . . . . 4.8600000000000003 110.726 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -169.95 -86.15 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.091 -0.959 . . . . 5.0800000000000001 109.437 -174.371 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.549 ' HB3' ' H ' ' A' ' 825' ' ' MET . 1.0 OUTLIER 166.02 -96.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.868 0.73 . . . . 3.9900000000000002 110.007 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 825' ' ' MET . . . . . 0.549 ' H ' ' HB3' ' A' ' 824' ' ' ASP . 0.0 OUTLIER -149.55 139.42 21.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.353 -0.981 . . . . 1.8999999999999999 108.353 177.398 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.74 118.91 33.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.145 0.498 . . . . 1.9299999999999999 111.258 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -111.44 135.87 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 0.46999999999999997 110.218 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -93.78 103.67 15.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.052 -0.522 . . . . 1.3700000000000001 110.051 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 840' ' ' LEU . 4.8 m -92.43 94.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.775 0.798 . . . . 1.0600000000000001 109.753 176.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.725 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 2.3 t -105.76 141.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.302 -0.863 . . . . 1.0700000000000001 109.362 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.589 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 5.9 t70 -147.82 138.31 23.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.891 0.377 . . . . 1.3 110.236 172.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 832' ' ' ASP . . . . . 0.642 ' CB ' ' HA ' ' A' ' 876' ' ' VAL . 36.4 t0 -86.85 55.5 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.406 -0.815 . . . . 2.0299999999999998 109.335 175.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.49 162.9 2.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.128 -1.064 . . . . 2.1200000000000001 108.128 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -89.24 -41.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.475 1.45 . . . . 1.1200000000000001 113.452 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.0 -44.54 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.646 -0.252 . . . . 2.2599999999999998 111.583 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -25.64 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.024 -0.362 . . . . 1.8300000000000001 110.024 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.601 ' HD2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -60.17 -50.52 73.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 2.7799999999999998 110.584 175.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.96 -30.03 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 2.75 110.88 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -45.18 48.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 1.1399999999999999 110.987 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -71.11 -30.06 66.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.274 -0.421 . . . . 1.4299999999999999 110.365 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.65 67.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.59999999999999998 110.243 173.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.84 -46.69 74.3 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.583 -0.525 . . . . 1.3400000000000001 109.583 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.66 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.7 OUTLIER -58.52 -43.93 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.8500000000000001 110.322 176.103 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.587 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -62.41 -40.72 97.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.787 -0.642 . . . . 1.24 110.856 177.702 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.01 -27.46 72.29 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.84 -0.618 . . . . 0.52000000000000002 111.961 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.6 m -72.6 -27.95 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.69999999999999996 110.059 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.631 HD13 ' HG ' ' A' ' 936' ' ' LEU . 2.6 mt -77.11 -22.11 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 1.5600000000000001 110.371 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 76.88 25.92 63.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.956 -0.64 . . . . 0.62 112.407 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -104.28 166.25 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.714 0.292 . . . . 1.22 111.002 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.91 116.68 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 2.3799999999999999 110.613 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.8 m -96.51 116.25 28.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.93999999999999995 111.043 -176.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.33 111.66 23.72 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.208 -0.664 . . . . 1.4399999999999999 109.208 174.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.601 HG22 ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.43 133.34 35.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.02 0.438 . . . . 0.62 111.892 -172.819 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.452 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -144.99 165.42 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.46999999999999997 109.825 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.645 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.9 t-20 -141.44 72.88 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 1.8999999999999999 110.423 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.726 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 3.5 t70 160.61 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.588 1.155 . . . . 1.45 109.681 170.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.547 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -73.34 -40.88 47.55 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.967 -0.853 . . . . 0.57999999999999996 110.967 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.505 HG22 ' OD1' ' A' ' 856' ' ' ASP . 32.8 m -72.97 -28.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.18 0.514 . . . . 0.94999999999999996 110.05 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.726 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 3.1 t0 -56.68 -40.25 75.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.83999999999999997 110.215 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -66.6 -33.53 75.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.51000000000000001 110.982 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 858' ' ' VAL . 2.4 mp -62.74 -44.94 94.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.171 0.51 . . . . 1.8500000000000001 110.639 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -67.34 -47.78 69.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 1.72 111.039 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 860' ' ' ALA . 5.0 p -64.01 -31.19 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.322 -0.399 . . . . 0.89000000000000001 110.689 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HG ' HD12 ' A' ' 869' ' ' ILE . 0.3 OUTLIER -65.51 -32.78 74.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.235 0.541 . . . . 1.6599999999999999 110.535 174.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 10.3 m -83.17 -12.29 57.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 0.81999999999999995 111.078 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -43.58 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.861 0.319 . . . . 3.46 111.861 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -138.22 147.95 44.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.563 -0.29 . . . . 1.8600000000000001 110.454 -174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -77.19 103.44 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 3.1200000000000001 111.212 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.484 HD12 ' HG ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -97.72 138.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.604 -0.888 . . . . 1.0600000000000001 108.604 169.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -89.64 -33.66 16.57 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.588 0.218 . . . . 1.6399999999999999 111.588 -170.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.0 134.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.781 -0.452 . . . . 1.03 109.781 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.876 HG23 HD11 ' A' ' 897' ' ' LEU . 50.3 t -114.63 130.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.547 -0.461 . . . . 0.67000000000000004 111.206 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -134.32 119.71 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 174.079 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.725 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.72999999999999998 111.6 -175.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 4.8 t0 -76.28 156.21 33.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.721 . . . . 1.3400000000000001 109.296 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.698 HG11 ' HA2' ' A' ' 883' ' ' GLY . 0.0 OUTLIER -146.09 158.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.118 0.414 . . . . 1.29 112.118 -178.453 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 876' ' ' VAL . 7.9 t-20 122.37 74.89 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.391 1.682 . . . . 2.5499999999999998 110.989 169.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.741 ' H ' ' HD2' ' A' ' 879' ' ' PRO . 7.8 tpt -119.87 -54.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.503 -0.771 . . . . 3.6600000000000001 110.597 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 878' ' ' MET . 39.5 Cg_endo -69.96 -68.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.689 1.593 . . . . 3.48 112.368 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 880' ' ' ASN . . . . . 0.403 ' HB2' ' H ' ' A' ' 881' ' ' MET . 11.9 p30 -158.38 -149.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.56 -0.291 . . . . 4.8700000000000001 110.81 -178.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.403 ' H ' ' HB2' ' A' ' 880' ' ' ASN . 0.5 OUTLIER -81.42 75.26 8.39 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.015 0.436 . . . . 5.5800000000000001 111.231 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -134.8 -169.54 2.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 4.9900000000000002 109.48 173.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.698 ' HA2' HG11 ' A' ' 876' ' ' VAL . . . 129.67 -17.48 5.51 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.729 -0.748 . . . . 3.04 111.646 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.76 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 15.3 p90 -91.7 -44.43 9.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.691 0.758 . . . . 2.8399999999999999 110.909 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.51 -25.83 39.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.819 0.818 . . . . 3.3599999999999999 111.421 -170.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.601 HD21 ' HA2' ' A' ' 883' ' ' GLY . 0.2 OUTLIER -76.79 -22.1 54.19 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.536 -0.913 . . . . 2.3399999999999999 108.536 -172.118 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.677 ' HA ' HD12 ' A' ' 890' ' ' ILE . 14.7 m -76.01 -30.99 58.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.466 -1.243 . . . . 1.28 109.194 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.411 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 10.2 tt0 -60.16 -37.1 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.317 -0.856 . . . . 2.1699999999999999 109.087 173.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -34.14 70.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.199 -0.91 . . . . 2.3599999999999999 110.816 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 887' ' ' THR . 96.8 mt -61.72 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.886 0.374 . . . . 1.71 110.622 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.464 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -70.51 -23.3 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.2400000000000002 110.958 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.74 -39.39 66.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 2.6200000000000001 109.74 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -50.07 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.483 -0.78 . . . . 1.9099999999999999 110.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.97 91.87 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.861 -0.685 . . . . 1.1200000000000001 112.188 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -76.72 126.97 31.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.123 0.487 . . . . 2.8900000000000001 110.86 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.47 -2.22 25.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 2.4900000000000002 110.745 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.876 HD11 HG23 ' A' ' 872' ' ' VAL . 0.6 OUTLIER -148.7 162.32 30.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.6 . . . . 1.3999999999999999 110.623 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 133.75 36.88 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.982 2.454 . . . . 0.72999999999999998 112.895 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.6 t -113.24 118.91 59.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.661 . . . . 0.64000000000000001 110.579 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 3.7 mt -104.71 109.93 29.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.757 -0.656 . . . . 0.64000000000000001 109.935 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.26 130.14 10.18 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.479 -0.867 . . . . 0.47999999999999998 112.048 -177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.6 OUTLIER -98.95 93.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.002 -0.74 . . . . 1.04 109.002 177.175 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 0.7 OUTLIER -88.14 165.68 14.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.303 -0.862 . . . . 0.89000000000000001 110.995 -175.281 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.686 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.06 119.25 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.814 0.672 . . . . 1.1899999999999999 112.814 -174.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.49 43.09 2.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.055 -0.975 . . . . 2.7000000000000002 113.259 165.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.86 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -123.64 -35.29 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.753 -0.379 . . . . 2.8100000000000001 111.213 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.96 -48.2 0.66 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.607 0.763 . . . . 3.9300000000000002 111.171 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -85.2 27.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 2.0899999999999999 110.349 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.86 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 2.0 mp0 -60.23 -35.94 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.759 -0.655 . . . . 3.3100000000000001 110.664 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.21 -27.43 69.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 3.5800000000000001 110.62 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -73.87 -38.4 64.44 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.099 -0.334 . . . . 2.29 110.099 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.686 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 3.0 mp0 -68.52 -30.07 68.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.742 -0.783 . . . . 2.6499999999999999 109.496 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.49 -29.5 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.275 0.559 . . . . 4.0499999999999998 110.214 172.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 34.7 m -75.17 -29.32 60.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.034 0.445 . . . . 1.6499999999999999 109.903 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.1 mp -71.2 -53.7 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 1.8799999999999999 111.633 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.16 -37.61 38.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.627 0.251 . . . . 3.4700000000000002 110.926 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 m 54.28 52.08 13.2 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.355 0.872 . . . . 1.3500000000000001 113.355 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -147.6 20.38 1.49 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.95 -1.119 . . . . 1.02 112.758 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.662 ' HG2' HG21 ' A' ' 887' ' ' THR . 2.4 mmt -97.26 -116.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.996 0.427 . . . . 2.0099999999999998 111.408 -174.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 919' ' ' MET . 2.0 t70 172.51 -51.68 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.276 -1.009 . . . . 1.26 108.276 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 157.3 44.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.358 -0.837 . . . . 1.26 110.672 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 118.99 21.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 1.1299999999999999 110.633 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.21 -174.28 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.68999999999999995 110.1 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.7 OUTLIER -110.5 142.61 42.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.504 -0.317 . . . . 0.89000000000000001 110.786 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.686 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 14.7 tttp -46.93 -43.83 43.78 Favored Pre-proline 0 N--CA 1.472 0.648 0 N-CA-C 113.758 1.021 . . . . 1.1100000000000001 113.758 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 35.9 Cg_endo -67.3 59.34 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.849 1.699 . . . . 1.01 112.635 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.65 152.91 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.799 -0.637 . . . . 1.3600000000000001 110.334 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.3 171.3 10.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.628 -0.26 . . . . 0.92000000000000004 110.456 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -52.63 -45.75 66.78 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.41 0.444 . . . . 0.92000000000000004 111.429 179.127 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.44 -47.79 74.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.448 -0.342 . . . . 1.8500000000000001 110.695 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.61 -44.66 99.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.913 -0.585 . . . . 0.93000000000000005 111.275 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.9 tt -67.6 -35.97 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.518 -0.31 . . . . 1.1799999999999999 110.675 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -67.8 -35.24 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 1.8999999999999999 110.435 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.59 -51.01 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.995 -0.548 . . . . 2.25 110.509 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.0 m -62.47 -40.12 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.62 111.095 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.631 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.5 OUTLIER -59.65 -54.9 41.0 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.85999999999999999 110.513 176.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 54.2 m -61.33 -46.0 92.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.512 -0.767 . . . . 0.87 111.722 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -39.47 94.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 1.4199999999999999 111.449 -177.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.9 -31.55 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 1.5900000000000001 111.514 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 0.60999999999999999 110.414 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.5 OUTLIER -69.61 -33.97 73.42 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.163 -0.31 . . . . 1.8700000000000001 110.163 178.141 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.588 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -63.48 -47.49 81.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.328 -0.396 . . . . 3.1099999999999999 110.61 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.4 -30.24 34.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.942 -0.303 . . . . 0.75 110.413 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -48.57 78.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 3.5800000000000001 110.768 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.588 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.7 OUTLIER -78.17 -16.7 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 2.7799999999999998 111.359 -178.568 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.5 m -79.92 -44.27 20.68 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.823 -0.351 . . . . 1.3400000000000001 110.808 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -74.52 -47.81 30.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.915 0.388 . . . . 3.5299999999999998 110.59 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.88 176.98 7.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.087 -0.506 . . . . 2.6400000000000001 110.472 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.805 -0.616 . . . . 5.0899999999999999 110.462 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.118 0.485 . . . . 7.0099999999999998 110.45 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -73.96 163.77 27.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 5.3499999999999996 110.51 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.72 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 5.29 110.753 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 40.9 m -116.42 92.67 3.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.802 -0.635 . . . . 4.7199999999999998 109.484 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.04 150.31 48.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 4.7400000000000002 110.566 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -63.41 -65.7 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.374 -0.602 . . . . 4.8600000000000003 109.374 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 0.5 OUTLIER 179.23 -91.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 5.0800000000000001 108.513 177.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 4.8 t70 173.76 -72.22 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.484 -0.78 . . . . 3.9900000000000002 109.713 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 126.2 14.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.829 -0.623 . . . . 1.8999999999999999 110.431 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -91.7 121.77 33.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.055 -0.521 . . . . 1.9299999999999999 109.644 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.611 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.1 mm -117.23 141.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.46999999999999997 110.637 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.599 ' O ' ' HG ' ' A' ' 873' ' ' LEU . 0.3 OUTLIER -98.61 115.25 28.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.521 . . . . 1.3700000000000001 109.728 176.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.6 m -111.09 103.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.704 0.764 . . . . 1.0600000000000001 110.735 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.799 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.8 t -104.4 141.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.344 -0.844 . . . . 1.0700000000000001 109.864 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 9.4 t70 -158.05 127.08 5.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 1.3 110.207 169.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.25 9.42 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.874 -0.603 . . . . 2.0299999999999998 112.516 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 2.7 m170 -133.89 127.14 19.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 122.089 -0.382 . . . . 2.1200000000000001 110.345 173.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 62.2 Cg_exo -52.17 -43.01 56.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.763 2.975 . . . . 1.1200000000000001 114.263 -172.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 835' ' ' ILE . 0.2 OUTLIER -64.82 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.084 -0.246 . . . . 2.2599999999999998 111.122 -175.676 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.4 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 3.2 t30 -83.18 -29.79 28.31 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.455 -0.498 . . . . 1.8300000000000001 110.75 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.23 -42.54 91.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.49 -0.559 . . . . 2.7799999999999998 109.49 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -61.51 -50.28 73.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.281 -0.872 . . . . 2.75 110.303 176.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -70.45 -33.21 71.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.887 -0.597 . . . . 1.1399999999999999 111.589 -172.556 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.09 -37.46 75.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.787 -0.642 . . . . 1.4299999999999999 109.97 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.82 65.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.164 -0.471 . . . . 0.59999999999999998 110.337 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -48.48 79.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 1.3400000000000001 109.458 175.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.861 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.3 mp0 -59.95 -50.2 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.064 -0.971 . . . . 1.8500000000000001 111.173 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.6 tp -63.55 -35.87 81.9 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.017 0.437 . . . . 1.24 111.017 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.5 -31.44 78.74 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.097 -0.573 . . . . 0.52000000000000002 111.706 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 14.7 m -68.52 -28.11 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.69999999999999996 110.265 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -39.73 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 1.5600000000000001 109.576 172.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.98 20.32 24.04 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.551 -0.75 . . . . 0.62 111.434 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -100.13 156.69 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 1.22 111.049 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.35 124.59 23.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 2.3799999999999999 110.584 -176.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -110.44 103.54 12.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.978 -0.555 . . . . 0.93999999999999995 111.212 -175.413 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -92.29 115.78 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 1.4399999999999999 108.897 175.208 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.09 142.21 27.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.207 0.527 . . . . 0.62 112.381 -171.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -156.32 168.35 27.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.011 -0.995 . . . . 0.46999999999999997 108.5 175.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.7 p-10 -151.11 73.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 1.8999999999999999 112.189 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.888 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 30.2 t0 164.02 157.56 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.825 -1.08 . . . . 1.45 109.312 173.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.11 67.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.768 -0.73 . . . . 0.57999999999999996 111.298 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.82 -28.54 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.94999999999999996 110.685 176.395 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.888 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 15.6 t0 -56.67 -38.5 72.3 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.012 0.434 . . . . 0.83999999999999997 110.05 173.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.96 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.76 -0.654 . . . . 0.51000000000000001 110.837 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.536 ' CD2' HG12 ' A' ' 890' ' ' ILE . 1.3 mm? -57.77 -50.32 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 1.8500000000000001 110.724 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -60.86 -50.44 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.543 -0.753 . . . . 1.72 111.244 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 828' ' ' LEU . 14.6 p -67.35 -32.32 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.554 -0.294 . . . . 0.89000000000000001 111.29 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.441 HD22 HD21 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -66.79 -33.31 75.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 1.6599999999999999 110.914 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 7.3 m -79.89 -27.61 39.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.81999999999999995 111.197 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 -0.62 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.059 0.392 . . . . 3.46 112.059 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -160.35 137.71 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.318 -0.253 . . . . 1.8600000000000001 110.318 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -89.65 130.41 35.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.214 0.531 . . . . 3.1200000000000001 111.222 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.552 HD13 HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -130.32 145.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 1.0600000000000001 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.58 -55.52 3.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.984 0.421 . . . . 1.6399999999999999 110.699 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 827' ' ' ILE . 24.8 mt -106.96 121.42 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.168 -0.469 . . . . 1.03 110.067 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 899' ' ' VAL . 87.0 t -115.28 128.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 0.67000000000000004 110.929 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 828' ' ' LEU . 1.1 pp -136.53 137.85 40.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 0.87 110.295 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.799 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -125.62 117.67 24.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.232 0.539 . . . . 0.72999999999999998 110.216 179.722 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.727 ' HB2' ' O ' ' A' ' 830' ' ' VAL . 0.6 OUTLIER -92.32 106.3 18.33 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.43 -0.805 . . . . 1.3400000000000001 111.186 -177.389 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.08 10.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.833 -0.621 . . . . 1.29 109.571 176.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.08 28.06 4.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.294 -0.412 . . . . 2.5499999999999998 111.03 -172.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.46 124.92 1.21 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 3.6600000000000001 110.821 -176.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.3 131.34 40.4 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.612 2.208 . . . . 3.48 110.618 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.81 164.35 24.28 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.919 -0.312 . . . . 4.8700000000000001 111.263 -173.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -0.77 56.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.552 0.692 . . . . 5.5800000000000001 109.536 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.62 17.97 22.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.041 -0.982 . . . . 4.9900000000000002 109.474 175.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -65.64 112.56 5.06 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.465 -0.789 . . . . 3.04 111.648 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.722 ' HB3' ' O ' ' A' ' 883' ' ' GLY . 1.0 OUTLIER 123.95 -30.96 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.055 1.742 . . . . 2.8399999999999999 108.501 -174.689 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.538 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -80.71 -28.23 36.72 Favored 'General case' 0 N--CA 1.416 -2.137 0 C-N-CA 117.817 -1.553 . . . . 3.3599999999999999 113.795 -173.219 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -58.48 -47.77 82.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.103 0.954 . . . . 2.3399999999999999 109.274 -167.24 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.96 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 31.7 m -81.4 -24.79 36.71 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.366 -1.288 . . . . 1.28 110.053 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.802 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 25.4 tp60 -54.52 -40.53 68.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.598 -0.519 . . . . 2.1699999999999999 109.598 174.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -36.52 69.11 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.995 -0.548 . . . . 2.3599999999999999 110.491 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.667 HG13 ' HA ' ' A' ' 887' ' ' THR . 4.0 mt -54.82 -50.33 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.136 0.493 . . . . 1.71 111.036 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -71.65 -24.59 61.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 2.2400000000000002 111.115 -178.285 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.09 -31.83 71.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 2.6200000000000001 110.744 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -14.64 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.9099999999999999 110.215 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.44 31.88 6.59 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.675 -0.774 . . . . 1.1200000000000001 112.639 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.441 HD21 HD22 ' A' ' 864' ' ' LEU . 0.1 OUTLIER -71.07 142.22 50.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 2.8900000000000001 110.572 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 10.4 t -147.96 38.74 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.894 0.854 . . . . 2.4900000000000002 109.76 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 161.59 54.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.16 -0.927 . . . . 1.3999999999999999 109.433 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.515 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 29.1 Cg_endo -62.33 113.81 2.08 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 122.784 2.323 . . . . 0.72999999999999998 113.203 -176.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.805 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 61.3 t -113.85 125.23 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.64000000000000001 110.598 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 873' ' ' LEU . 0.6 OUTLIER -101.45 126.33 55.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.794 -0.639 . . . . 0.64000000000000001 109.973 177.598 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -110.75 110.49 2.81 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.689 -0.767 . . . . 0.47999999999999998 111.792 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 923' ' ' LEU . 61.1 t -92.09 117.4 35.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.684 -0.487 . . . . 1.04 109.684 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 909' ' ' GLU . 13.2 p -107.19 158.98 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.89000000000000001 111.434 -171.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.77 103.99 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.501 -0.318 . . . . 1.1899999999999999 111.084 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.04 32.39 18.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.62 -0.718 . . . . 2.7000000000000002 112.426 175.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -93.7 92.84 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 2.8100000000000001 109.177 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.51 14.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.908 0.707 . . . . 3.9300000000000002 112.908 -171.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.6 25.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 2.0899999999999999 110.306 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.603 ' HB2' HG21 ' A' ' 903' ' ' THR . 0.0 OUTLIER -67.73 -28.8 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 3.3100000000000001 111.231 -175.265 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.68 -29.64 70.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.115 0.483 . . . . 3.5800000000000001 109.871 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -40.8 67.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.972 -0.558 . . . . 2.29 110.73 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.726 ' O ' ' HG3' ' A' ' 916' ' ' GLU . 5.3 mp0 -70.65 -34.28 71.88 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 119.09 -1.044 . . . . 2.6499999999999999 109.362 175.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -51.32 -40.34 58.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.171 0.51 . . . . 4.0499999999999998 110.157 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 14.1 m -76.56 -30.72 57.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.817 -0.629 . . . . 1.6499999999999999 111.655 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.5 OUTLIER -71.4 -53.18 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.082 0.401 . . . . 1.8799999999999999 112.082 -178.195 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.96 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.1 OUTLIER -67.73 -34.34 76.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.788 0.435 . . . . 3.4700000000000002 111.128 176.117 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.81 51.19 17.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.367 1.247 . . . . 1.3500000000000001 114.367 172.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.42 23.87 1.53 Allowed Glycine 0 C--N 1.32 -0.316 0 C-N-CA 120.026 -1.083 . . . . 1.02 111.742 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.805 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.7 ttm -103.97 -125.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.621 0.248 . . . . 2.0099999999999998 110.978 -174.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.4 t70 175.47 -54.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.865 -0.791 . . . . 1.26 108.865 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.03 152.19 35.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.35 -0.841 . . . . 1.26 110.203 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 6.6 m -116.42 145.01 43.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 1.1299999999999999 110.745 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.635 ' HB2' HG22 ' A' ' 902' ' ' VAL . 19.4 mt -126.07 -179.56 4.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.384 -0.371 . . . . 0.68999999999999995 110.108 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 27.5 m -108.27 148.5 29.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.828 -0.434 . . . . 0.89000000000000001 109.828 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.507 ' HD2' HG12 ' A' ' 902' ' ' VAL . 2.6 tptp -50.49 -44.06 81.85 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 114.873 1.434 . . . . 1.1100000000000001 114.873 -170.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -69.05 57.43 1.15 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.182 1.921 . . . . 1.01 113.541 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.53 109.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.172 0.511 . . . . 1.3600000000000001 110.683 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -179.21 4.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.867 -0.606 . . . . 0.92000000000000004 110.731 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -57.28 -43.86 83.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.632 0.254 . . . . 0.92000000000000004 111.185 -177.8 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.31 -44.72 90.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 1.8500000000000001 110.412 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.74 -47.65 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.712 -0.677 . . . . 0.93000000000000005 110.753 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 843' ' ' GLN . 1.6 tt -67.49 -29.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.005 -0.278 . . . . 1.1799999999999999 111.005 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -48.43 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.477 0.177 . . . . 1.8999999999999999 111.477 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -38.7 92.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.464 -0.495 . . . . 2.25 110.541 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 935' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 1.5 m -67.39 -44.46 78.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.352 -0.386 . . . . 0.62 110.858 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -63.35 -50.98 67.84 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.388 -0.369 . . . . 0.85999999999999999 111.347 -177.794 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 53.9 m -62.37 -41.08 98.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.693 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -42.7 66.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 1.4199999999999999 110.917 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.62 -49.05 70.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 1.5900000000000001 110.807 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -58.76 -41.33 86.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.60999999999999999 111.497 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 1.8700000000000001 110.543 179.006 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.418 HH22 ' CG ' ' A' ' 920' ' ' ASP . 0.0 OUTLIER -73.8 -43.21 59.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.501 -0.318 . . . . 3.1099999999999999 110.935 -176.022 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 940' ' ' ALA . 33.7 m -71.54 -29.8 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.615 0.245 . . . . 0.75 110.886 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -64.1 -43.25 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.954 -0.387 . . . . 3.5800000000000001 109.954 174.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.4 mttm -74.23 -19.58 60.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 2.7799999999999998 110.957 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.5 m -82.81 -30.3 28.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 1.3400000000000001 111.293 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 947' ' ' ARG . 0.4 OUTLIER -88.15 -45.82 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 3.5299999999999998 110.696 -178.673 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 13.3 t70 71.62 -57.76 0.6 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.142 0.901 . . . . 2.6400000000000001 111.868 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.681 -0.676 . . . . 5.0899999999999999 110.602 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.6 pttt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.542 0.21 . . . . 7.0099999999999998 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -148.75 -175.28 4.88 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.784 -0.189 . . . . 5.3499999999999996 110.585 -176.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.41 120.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.043 -0.725 . . . . 5.29 109.043 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' SER . . . . . 0.483 ' HB2' ' H ' ' A' ' 821' ' ' ASP . 0.7 OUTLIER -99.48 -101.64 0.23 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.185 0.809 . . . . 4.7199999999999998 113.185 -166.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 821' ' ' ASP . . . . . 0.483 ' H ' ' HB2' ' A' ' 820' ' ' SER . 0.5 OUTLIER -105.72 137.55 43.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.328 0.862 . . . . 4.7400000000000002 113.328 -161.468 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.96 127.29 13.05 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 114.955 -1.02 . . . . 4.8600000000000003 109.321 169.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -129.41 88.39 2.69 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.391 -0.596 . . . . 5.0800000000000001 109.391 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -81.96 64.6 6.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.347 -0.842 . . . . 3.9900000000000002 108.89 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.0 mtp -74.05 121.92 21.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.805 -1.089 . . . . 1.8999999999999999 109.707 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.514 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.4 mtm -87.33 117.99 26.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.667 -0.697 . . . . 1.9299999999999999 110.842 -174.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.7 mm -118.52 129.56 74.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.011 -0.54 . . . . 0.46999999999999997 109.881 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.545 ' HG ' HD13 ' A' ' 869' ' ' ILE . 0.4 OUTLIER -94.79 116.5 28.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.93 -0.577 . . . . 1.3700000000000001 110.934 -178.467 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 3.9 m -95.29 95.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 1.0600000000000001 109.365 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.546 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.3 t -106.45 83.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 1.0700000000000001 111.178 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.801 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -114.37 153.65 29.45 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 121.1 -0.24 . . . . 1.3 111.035 -174.275 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.26 -19.6 22.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.518 0.562 . . . . 2.0299999999999998 112.518 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -107.42 105.25 55.41 Favored Pre-proline 0 C--O 1.221 -0.443 0 O-C-N 122.396 -0.19 . . . . 2.1200000000000001 110.785 -174.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.9 Cg_endo -42.41 -40.07 6.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.816 3.011 . . . . 1.1200000000000001 114.241 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.419 ' H ' HG22 ' A' ' 835' ' ' ILE . 1.3 tt -62.94 -41.02 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.125 0.488 . . . . 2.2599999999999998 111.144 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -32.26 62.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.514 . . . . 1.8300000000000001 110.177 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.421 ' HD3' ' OD1' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -56.49 -43.69 79.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 2.7799999999999998 110.015 173.6 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.493 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.98 -51.01 71.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.497 -0.774 . . . . 2.75 110.509 178.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.493 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.63 -32.85 62.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.47 -0.786 . . . . 1.1399999999999999 111.713 -171.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.29 -42.78 62.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.086 -0.506 . . . . 1.4299999999999999 110.386 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.77 -24.56 63.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.181 0.515 . . . . 0.59999999999999998 110.085 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.03 -49.76 66.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 1.3400000000000001 109.902 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.9 -37.24 81.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.834 -0.621 . . . . 1.8500000000000001 110.218 176.136 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.69 -42.71 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.624 -0.716 . . . . 1.24 110.336 176.116 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.79 75.73 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.674 -0.694 . . . . 0.52000000000000002 112.354 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 4.2 m -61.82 -40.84 96.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.46 0.171 . . . . 0.69999999999999996 110.91 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.903 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.69 -39.87 88.3 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.492 -0.558 . . . . 1.5600000000000001 109.492 175.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 98.5 38.59 3.92 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.66 -0.7 . . . . 0.62 112.396 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -113.25 -176.31 2.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.997 -0.371 . . . . 1.22 109.997 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.2 OUTLIER -84.99 108.29 17.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.627 -0.26 . . . . 2.3799999999999999 110.899 -176.064 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 116.43 27.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.558 -0.292 . . . . 0.93999999999999995 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 828' ' ' LEU . 2.2 mptp? -112.13 132.18 55.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.134 -0.691 . . . . 1.4399999999999999 109.134 175.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.05 138.89 33.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.352 0.501 . . . . 0.62 112.352 -171.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 830' ' ' VAL . . . -158.66 163.86 36.49 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.993 -0.743 . . . . 0.46999999999999997 108.993 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 17.4 p-10 -149.9 72.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.706 -0.797 . . . . 1.8999999999999999 112.989 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.55 161.19 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.646 1.179 . . . . 1.45 109.505 166.466 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -63.2 -43.31 98.78 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.041 -0.6 . . . . 0.57999999999999996 113.366 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.478 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 3.9 m -73.95 -31.21 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.465 . . . . 0.94999999999999996 110.852 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.429 ' HB2' ' OD2' ' A' ' 856' ' ' ASP . 5.1 t0 -59.49 -39.17 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.83999999999999997 110.578 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -59.13 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 0.51000000000000001 111.486 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.573 ' HB3' HG12 ' A' ' 890' ' ' ILE . 1.5 pp -72.69 -35.02 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 1.8500000000000001 111.065 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.3 -48.11 76.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.168 0.508 . . . . 1.72 110.762 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.456 ' CG1' HD11 ' A' ' 828' ' ' LEU . 4.7 p -70.82 -31.05 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.128 -0.487 . . . . 0.89000000000000001 110.692 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -66.48 -35.74 81.03 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.933 0.345 . . . . 1.6599999999999999 111.933 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -39.15 66.08 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.87 -0.332 . . . . 0.81999999999999995 110.186 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -67.27 -49.7 63.31 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.117 0.484 . . . . 3.46 110.874 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.25 128.4 37.77 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.134 -0.691 . . . . 1.8600000000000001 109.134 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -82.18 139.83 34.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.177 0.513 . . . . 3.1200000000000001 111.437 -172.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.545 HD13 ' HG ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -125.19 155.08 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.268 -0.878 . . . . 1.0600000000000001 109.133 -177.736 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.42 -53.81 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 1.6399999999999999 111.356 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 1.2 mm -132.22 138.62 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.372 -0.376 . . . . 1.03 110.621 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 897' ' ' LEU . 16.9 t -116.92 135.19 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.222 -0.191 . . . . 0.67000000000000004 110.588 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -124.97 108.52 11.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 0.87 110.203 175.11 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.402 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.7 OUTLIER -91.45 99.78 12.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.72999999999999998 110.32 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 32.9 t0 -90.05 105.63 17.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.438 -0.801 . . . . 1.3400000000000001 110.122 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.09 119.45 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.315 0.579 . . . . 1.29 112.019 -173.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.508 ' HB3' ' HD2' ' A' ' 925' ' ' LYS . 0.6 OUTLIER -109.5 -13.07 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.546 -0.752 . . . . 2.5499999999999998 110.345 174.278 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 14.3 tpt -69.28 112.95 13.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 3.6600000000000001 111.151 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -80.99 77.08 4.19 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.697 2.265 . . . . 3.48 111.688 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -88.13 -179.35 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.87 . . . . 4.8700000000000001 109.985 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.35 2.61 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.562 . . . . 5.5800000000000001 110.172 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -113.01 -136.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.574 -0.739 . . . . 4.9900000000000002 109.791 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 103.15 5.99 45.89 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.142 -0.783 . . . . 3.04 111.142 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.802 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 2.8 p90 -133.9 -56.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.089 0.947 . . . . 2.8399999999999999 110.712 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.614 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.46 -26.4 63.32 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.031 -0.986 . . . . 3.3599999999999999 111.492 -162.643 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.522 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.06 -34.79 78.88 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.802 0.81 . . . . 2.3399999999999999 109.104 -172.149 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.702 ' HA ' HD12 ' A' ' 890' ' ' ILE . 5.8 m -79.77 -27.11 40.47 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.578 -1.192 . . . . 1.28 110.078 178.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.469 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 2.0 tt0 -61.1 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.461 -0.57 . . . . 2.1699999999999999 109.461 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.5 OUTLIER -60.36 -40.99 92.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.116 -0.947 . . . . 2.3599999999999999 110.361 174.342 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 887' ' ' THR . 74.6 mt -56.61 -49.59 77.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.979 -0.555 . . . . 1.71 110.745 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.897 -0.592 . . . . 2.2400000000000002 110.782 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.498 ' HG2' HH11 ' A' ' 889' ' ' ARG . 2.9 tp60 -62.23 -35.22 78.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.6200000000000001 110.521 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -26.1 63.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 1.9099999999999999 110.965 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 69.83 61.04 4.57 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.941 -0.647 . . . . 1.1200000000000001 111.509 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.707 HD11 HD22 ' A' ' 897' ' ' LEU . 0.0 OUTLIER -89.53 145.88 24.98 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.838 0.351 . . . . 2.8900000000000001 110.522 -175.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.47 68.49 1.38 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.4900000000000002 111.682 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -164.68 146.26 6.67 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.151 -0.477 . . . . 1.3999999999999999 110.602 -175.738 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -81.84 133.99 8.23 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.671 2.247 . . . . 0.72999999999999998 112.156 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 3.3 t -110.56 114.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.64000000000000001 110.445 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 1.032 HG23 ' HB2' ' A' ' 921' ' ' SER . 3.4 mt -98.55 106.95 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.704 . . . . 0.64000000000000001 110.073 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 901' ' ' GLY . . . . . 0.42 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -83.93 103.87 2.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.685 -0.769 . . . . 0.47999999999999998 112.57 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -81.43 94.24 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 173.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.443 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 1.8 p -102.28 152.71 20.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.426 0.528 . . . . 0.89000000000000001 112.426 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 925' ' ' LYS . . . -135.69 103.15 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 1.1899999999999999 110.563 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 10.8 t30 44.56 72.3 0.21 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.946 -1.024 . . . . 2.7000000000000002 112.869 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.876 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -105.15 28.76 6.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.943 -0.572 . . . . 2.8100000000000001 110.123 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 11.4 mt 72.72 -67.8 0.25 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.189 -0.914 . . . . 3.9300000000000002 111.981 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -137.4 67.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.971 0.415 . . . . 2.0899999999999999 110.606 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.876 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 31.7 mp0 -58.96 -49.64 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.742 -0.663 . . . . 3.3100000000000001 111.795 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -26.62 67.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.768 0.318 . . . . 3.5800000000000001 110.605 -176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.24 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.3 -0.409 . . . . 2.29 110.32 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.802 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.9 mt-30 -74.52 -37.3 63.13 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 119.476 -0.89 . . . . 2.6499999999999999 109.261 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.534 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -52.81 -40.34 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.421 0.451 . . . . 4.0499999999999998 110.75 177.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.12 -29.39 54.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.399 -0.364 . . . . 1.6499999999999999 111.245 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 915' ' ' LEU . 0.7 OUTLIER -70.21 -52.16 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 1.8799999999999999 111.251 -177.66 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.4 -38.39 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 3.4700000000000002 110.59 177.737 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.74 50.58 17.79 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.458 -0.792 . . . . 1.3500000000000001 112.691 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -131.15 -6.06 3.62 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.231 -0.985 . . . . 1.02 112.852 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.836 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.5 mtm -85.64 -98.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.408 0.104 . . . . 2.0099999999999998 110.87 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.4 t70 133.01 -55.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.227 1.811 . . . . 1.26 110.368 172.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 921' ' ' SER . . . . . 1.032 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -104.3 156.64 17.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.675 -0.239 . . . . 1.26 110.881 -177.131 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.38 135.03 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.372 . . . . 1.1299999999999999 111.048 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.435 ' HB2' HG13 ' A' ' 902' ' ' VAL . 0.4 OUTLIER -132.82 -175.32 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.763 -0.458 . . . . 0.68999999999999995 109.763 177.016 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 927' ' ' VAL . 0.3 OUTLIER -108.63 140.24 42.28 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.59 -0.522 . . . . 0.89000000000000001 109.59 176.497 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.508 ' HD2' ' HB3' ' A' ' 877' ' ' ASN . 5.4 ttmm -46.52 -48.45 47.49 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.907 0.706 . . . . 1.1100000000000001 112.907 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 51.0 Cg_endo -70.06 69.54 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.748 1.632 . . . . 1.01 112.487 175.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 927' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 924' ' ' SER . 0.1 OUTLIER -87.52 169.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.3600000000000001 110.435 175.488 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.51 172.82 11.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.92000000000000004 110.491 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -46.85 88.58 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.173 0.295 . . . . 0.92000000000000004 111.685 -174.479 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 930' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 0.2 OUTLIER -75.52 -30.39 59.77 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.811 -0.356 . . . . 1.8500000000000001 111.103 -177.188 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.99 -44.91 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 0.93000000000000005 109.895 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.537 HG23 HD21 ' A' ' 847' ' ' LEU . 2.5 tt -69.98 -24.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 1.1799999999999999 110.225 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -71.67 -48.2 49.17 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.24 -0.436 . . . . 1.8999999999999999 111.295 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.431 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -67.32 -36.5 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.627 -0.429 . . . . 2.25 110.263 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 93.3 m -65.5 -49.55 68.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.743 0.306 . . . . 0.62 111.006 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.903 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.43 -49.66 76.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.85999999999999999 110.568 179.281 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.6 m -65.61 -41.89 92.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.586 -0.734 . . . . 0.87 111.844 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -47.12 87.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 1.4199999999999999 110.998 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.7 OUTLIER -73.19 -30.0 63.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 1.5900000000000001 110.977 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.76 93.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.60999999999999999 110.625 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -64.66 -36.7 85.12 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.802 -0.444 . . . . 1.8700000000000001 109.802 176.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -63.5 -48.08 79.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.02 -0.536 . . . . 3.1099999999999999 111.153 -177.096 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.8 m -75.37 -31.47 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.474 -0.33 . . . . 0.75 111.223 -178.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -75.69 -37.3 59.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.997 -0.281 . . . . 3.5800000000000001 111.411 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -30.55 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 2.7799999999999998 110.601 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 17.9 m -79.15 -21.45 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 1.3400000000000001 110.615 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -86.56 -56.39 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 3.5299999999999998 110.936 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.65 109.78 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.97 -0.559 . . . . 2.6400000000000001 110.809 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.469 -0.776 . . . . 5.0899999999999999 110.245 -179.749 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.969 -0.382 . . . . 7.0099999999999998 109.969 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.91 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.629 -0.26 . . . . 5.3499999999999996 110.46 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.9 p -88.51 119.11 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.169 0.509 . . . . 5.29 110.701 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.37 73.03 10.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.054 -0.521 . . . . 4.7199999999999998 110.35 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -109.35 162.32 14.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.882 -0.599 . . . . 4.7400000000000002 110.502 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -137.4 -11.83 1.62 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 4.8600000000000003 110.932 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 17.0 t0 57.54 60.35 2.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.554 -0.906 . . . . 5.0800000000000001 108.554 -168.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.01 65.6 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.826 -1.079 . . . . 3.9900000000000002 111.618 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.05 126.14 30.44 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.808 . . . . 1.8999999999999999 109.416 173.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.603 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 27.3 mtm -89.98 115.65 27.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 1.9299999999999999 110.9 -174.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.957 ' HB ' HD21 ' A' ' 844' ' ' LEU . 0.9 OUTLIER -109.17 134.98 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.147 0.499 . . . . 0.46999999999999997 110.569 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.64 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.7 OUTLIER -98.45 105.41 17.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.781 -0.645 . . . . 1.3700000000000001 110.333 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.694 HG23 HD23 ' A' ' 840' ' ' LEU . 0.2 OUTLIER -92.12 104.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.572 0.701 . . . . 1.0600000000000001 109.447 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.861 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 11.4 t -113.35 133.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.545 -0.752 . . . . 1.0700000000000001 109.935 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -159.03 138.97 11.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.956 -0.387 . . . . 1.3 109.956 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -81.19 -7.51 59.58 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.171 0.804 . . . . 2.0299999999999998 113.171 -175.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -122.82 96.57 45.08 Favored Pre-proline 0 N--CA 1.467 0.407 0 O-C-N 121.431 -0.793 . . . . 2.1200000000000001 111.405 -174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -30.74 -52.0 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.769 1 C-N-CA 125.418 4.079 . . . . 1.1200000000000001 116.305 -170.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.4 -41.94 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.155 0.503 . . . . 2.2599999999999998 111.6 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.519 HD22 ' HA ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -78.52 -32.44 48.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.067 -0.346 . . . . 1.8300000000000001 110.067 -178.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -57.97 -47.22 83.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 2.7799999999999998 110.796 175.449 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -36.83 83.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.438 -0.346 . . . . 2.75 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -48.11 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 1.1399999999999999 110.526 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.694 HD23 HG23 ' A' ' 829' ' ' VAL . 17.2 tp -61.42 -40.23 93.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.728 -0.669 . . . . 1.4299999999999999 111.003 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.77 73.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.59999999999999998 110.747 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.96 -49.09 71.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 1.3400000000000001 110.244 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -39.55 72.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.608 0.567 . . . . 1.8500000000000001 110.488 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.5 tp -62.38 -40.37 96.24 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.64 -0.709 . . . . 1.24 110.686 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.84 79.56 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.925 -0.655 . . . . 0.52000000000000002 112.246 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -35.68 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.69999999999999996 110.625 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.59 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.63 -34.94 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.035 -0.53 . . . . 1.5600000000000001 110.847 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 99.25 20.11 18.98 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.836 -0.697 . . . . 0.62 112.287 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.71 165.99 10.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.385 -0.228 . . . . 1.22 110.385 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.9 OUTLIER -70.01 131.28 44.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 2.3799999999999999 110.963 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.12 104.6 10.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.27 -0.423 . . . . 0.93999999999999995 111.513 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.435 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -105.71 118.82 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.373 -0.603 . . . . 1.4399999999999999 109.373 175.278 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.28 132.95 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.187 0.44 . . . . 0.62 112.187 -171.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.69 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -142.26 166.97 23.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.46999999999999997 109.768 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.595 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 17.4 p-10 -147.02 73.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.245 0.545 . . . . 1.8999999999999999 111.763 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t0 163.72 164.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.908 -1.042 . . . . 1.45 109.003 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -76.42 -46.11 12.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.175 -1.012 . . . . 0.57999999999999996 110.604 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 861' ' ' LEU . 7.2 m -66.56 -29.01 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.429 . . . . 0.94999999999999996 110.475 177.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 34.2 t0 -56.03 -42.89 77.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.67 -0.695 . . . . 0.83999999999999997 110.369 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -64.2 -36.27 83.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 0.51000000000000001 110.593 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.551 ' CD2' ' HG3' ' A' ' 889' ' ' ARG . 3.0 mp -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 1.8500000000000001 110.624 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.86 -55.55 33.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 1.72 110.791 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.576 ' CG1' HD11 ' A' ' 828' ' ' LEU . 9.6 p -66.61 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 115.895 -0.593 . . . . 0.89000000000000001 111.122 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -62.77 -37.37 86.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.072 0.463 . . . . 1.6599999999999999 110.818 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.3 m -72.93 -26.81 61.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.781 -0.645 . . . . 0.81999999999999995 111.151 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -82.52 -48.06 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 3.46 110.919 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -143.57 135.3 26.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.95 -0.568 . . . . 1.8600000000000001 109.913 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.85 111.85 8.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.995 0.426 . . . . 3.1200000000000001 111.767 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.64 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -88.13 151.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 1.0600000000000001 109.326 174.187 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 870' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 12.2 m-20 -80.85 -54.88 5.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.537 -0.301 . . . . 1.6399999999999999 111.774 -173.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 136.91 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.598 -0.273 . . . . 1.03 110.281 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 897' ' ' LEU . 52.9 t -108.95 129.93 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.654 -0.248 . . . . 0.67000000000000004 110.489 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.41 99.18 6.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.664 -0.495 . . . . 0.87 109.664 172.403 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.861 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -104.18 109.61 21.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.72999999999999998 110.87 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.584 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 35.4 t0 -95.29 117.98 31.24 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.596 0.712 . . . . 1.3400000000000001 110.521 177.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.6 91.94 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.29 111.401 -174.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -102.24 42.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.57 0.7 . . . . 2.5499999999999998 109.329 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 8.9 tpt -158.36 93.15 2.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.116 -0.947 . . . . 3.6600000000000001 109.719 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -91.42 31.02 0.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.13 2.553 . . . . 3.48 113.241 -176.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.21 -48.01 63.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 4.8700000000000001 110.557 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 2.5 tpt -89.56 53.05 2.48 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.113 0.483 . . . . 5.5800000000000001 110.672 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.595 ' HB3' ' CE1' ' A' ' 884' ' ' TYR . 0.5 OUTLIER 48.6 82.1 0.04 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-N 114.391 -1.277 . . . . 4.9900000000000002 111.717 174.027 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -63.69 103.39 0.68 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.204 -0.759 . . . . 3.04 111.204 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.739 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 2.8 p90 165.95 -54.91 0.0 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-O 122.842 1.306 . . . . 2.8399999999999999 109.619 -174.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.75 ' HD3' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -66.94 -22.61 65.93 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.314 -0.866 . . . . 3.3599999999999999 111.058 -170.34 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -45.97 89.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.578 0.704 . . . . 2.3399999999999999 109.655 -169.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.716 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 3.8 m -73.04 -31.13 64.23 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.028 -0.987 . . . . 1.28 109.966 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.75 ' HB3' ' HD3' ' A' ' 885' ' ' ARG . 6.4 tt0 -59.98 -37.41 79.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.3 0.572 . . . . 2.1699999999999999 110.27 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 861' ' ' LEU . 1.4 tpm_? -68.55 -37.78 80.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.347 -0.842 . . . . 2.3599999999999999 110.382 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 890' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -37.2 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.686 0.279 . . . . 1.71 110.849 177.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.69 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -72.96 -41.77 64.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.94 0.4 . . . . 2.2400000000000002 110.422 179.392 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 1.1 tp-100 -68.3 -25.3 65.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.992 -0.549 . . . . 2.6200000000000001 110.604 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -50.97 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.002 -0.545 . . . . 1.9099999999999999 110.302 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.17 87.55 0.71 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.674 -0.774 . . . . 1.1200000000000001 111.881 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 2.8900000000000001 110.935 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.37 32.35 5.37 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.435 0.636 . . . . 2.4900000000000002 109.898 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 872' ' ' VAL . 1.1 pt? -156.28 155.72 29.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.49 -0.777 . . . . 1.3999999999999999 109.747 -174.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.81 127.98 14.47 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 122.63 2.22 . . . . 0.72999999999999998 111.97 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.916 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 57.0 t -106.47 113.62 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.559 0.695 . . . . 0.64000000000000001 110.422 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 873' ' ' LEU . 7.2 mt -97.4 105.43 17.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.359 -0.837 . . . . 0.64000000000000001 109.941 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 901' ' ' GLY . . . . . 0.471 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -86.51 109.47 3.4 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.852 -0.69 . . . . 0.47999999999999998 112.277 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -89.09 128.42 41.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.451 -0.944 . . . . 1.04 108.451 174.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 924' ' ' SER . 4.7 p -144.72 162.01 37.79 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.936 -0.306 . . . . 0.89000000000000001 111.036 -174.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -139.62 102.75 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.0 -0.28 . . . . 1.1899999999999999 110.692 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t30 42.54 74.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.133 0.895 . . . . 2.7000000000000002 112.706 176.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -103.2 22.39 14.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 2.8100000000000001 110.169 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.71 73.72 0.47 Allowed 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.292 -0.867 . . . . 3.9300000000000002 110.6 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . 73.17 56.61 0.11 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.75 -1.114 . . . . 2.0899999999999999 111.078 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.534 ' HA ' ' OE1' ' A' ' 912' ' ' GLN . 9.0 pm0 -61.56 -31.36 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 3.3100000000000001 110.187 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.87 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.889 -0.596 . . . . 3.5800000000000001 110.02 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -71.93 -34.75 69.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.479 179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.664 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 3.3 mp0 -67.53 -38.17 83.81 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.326 -0.95 . . . . 2.6499999999999999 108.764 173.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.428 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -54.17 -32.97 56.89 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.511 0.507 . . . . 4.0499999999999998 111.15 177.183 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -29.99 52.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 1.6499999999999999 111.206 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 912' ' ' GLN . 22.6 mt -72.99 -53.27 11.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.976 0.361 . . . . 1.8799999999999999 111.976 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.739 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.23 -41.28 34.78 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.993 0.368 . . . . 3.4700000000000002 111.993 -178.291 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 917' ' ' SER . . . . . 0.69 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 52.18 52.07 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 114.058 1.132 . . . . 1.3500000000000001 114.058 174.28 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -135.74 24.13 3.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.255 -0.974 . . . . 1.02 111.93 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.916 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.5 mtt -103.13 -120.41 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 2.0099999999999998 111.296 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.544 ' H ' ' HB3' ' A' ' 919' ' ' MET . 31.4 t0 162.52 -52.78 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.799 1.24 . . . . 1.26 109.073 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -123.26 161.03 25.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.615 -0.72 . . . . 1.26 110.501 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 0.5 OUTLIER -144.62 132.64 21.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.972 -0.381 . . . . 1.1299999999999999 109.972 177.216 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -176.73 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.56 -0.291 . . . . 0.68999999999999995 110.569 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.1 OUTLIER -101.6 149.7 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.89000000000000001 109.897 178.694 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -47.1 -49.81 49.41 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 113.467 0.914 . . . . 1.1100000000000001 113.467 -178.263 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 56.6 Cg_endo -70.52 60.7 2.1 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.042 1.828 . . . . 1.01 113.825 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 927' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 924' ' ' SER . 56.0 t -79.4 102.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 1.3600000000000001 109.922 173.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.92 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 0.92000000000000004 111.261 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.56 -45.99 80.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.92000000000000004 111.66 -176.351 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.74 -38.73 83.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.067 0.461 . . . . 1.8500000000000001 110.626 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.07 -45.79 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 0.93000000000000005 110.38 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.1 tt -65.57 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 1.1799999999999999 110.409 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 1.8999999999999999 110.398 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.0 -53.9 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 2.25 110.527 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -44.61 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.62 111.593 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -58.65 -59.98 4.55 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.85999999999999999 111.167 -179.019 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.3 m -60.3 -42.32 95.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.87 111.716 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -49.05 62.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.283 . . . . 1.4199999999999999 111.457 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -74.27 -29.59 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.013 -0.275 . . . . 1.5900000000000001 111.324 -175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.66 -43.22 90.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.679 0.276 . . . . 0.60999999999999999 110.29 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -72.06 -27.68 62.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 1.8700000000000001 110.225 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 1.2 ttt180 -65.57 -47.35 76.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 3.1099999999999999 110.057 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.2 -30.27 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 0.75 110.643 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -69.66 -38.01 76.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.451 0.167 . . . . 3.5800000000000001 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -75.42 -27.68 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.635 0.255 . . . . 2.7799999999999998 110.711 178.123 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.0 m -72.68 -35.7 67.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.203 0.525 . . . . 1.3400000000000001 110.306 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -18.6 56.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 3.5299999999999998 110.554 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -69.97 81.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.912 -0.585 . . . . 2.6400000000000001 110.547 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.89 0 N-CA-C 109.297 -0.631 . . . . 5.0899999999999999 109.297 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 28.1 mttt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.924 0.392 . . . . 7.0099999999999998 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -156.05 179.2 9.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.543 -0.54 . . . . 5.3499999999999996 109.543 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 8.1 p -146.48 140.26 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.429 0.633 . . . . 5.29 111.93 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 69.3 m -154.29 148.9 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.18 -1.045 . . . . 4.7199999999999998 108.18 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -170.14 -169.77 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.045 0.387 . . . . 4.7400000000000002 112.045 -175.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 76.67 81.3 0.09 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 124.395 1.078 . . . . 4.8600000000000003 112.464 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -112.15 56.28 0.66 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 105.796 -1.927 . . . . 5.0800000000000001 105.796 161.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 825' ' ' MET . 10.4 t0 -57.6 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 113.774 -1.557 . . . . 3.9900000000000002 112.678 -164.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' MET . . . . . 0.474 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 1.4 tpp -136.58 136.67 39.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.363 -0.38 . . . . 1.8999999999999999 110.232 -178.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 3.7 mtm -95.04 124.52 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.265 -0.425 . . . . 1.9299999999999999 110.817 -177.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -113.88 133.33 60.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.46999999999999997 109.492 176.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.533 ' CB ' HG21 ' A' ' 869' ' ' ILE . 32.1 tp -107.93 114.14 27.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.873 0.368 . . . . 1.3700000000000001 110.951 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.609 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -94.17 105.3 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 1.0600000000000001 108.9 174.169 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.1 OUTLIER -109.25 82.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.672 -0.695 . . . . 1.0700000000000001 110.672 -177.013 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 52.8 t0 -108.5 125.63 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.43 -0.582 . . . . 1.3 109.43 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 832' ' ' ASP . . . . . 0.809 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 0.7 OUTLIER -53.86 -36.69 62.88 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.922 0.764 . . . . 2.0299999999999998 111.506 -179.626 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.4 OUTLIER -100.52 109.15 56.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 2.1200000000000001 110.67 -175.356 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 9.5 Cg_endo -52.51 -28.71 37.29 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.482 2.788 . . . . 1.1200000000000001 113.597 -175.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.9 OUTLIER -64.72 -46.7 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.141 0.496 . . . . 2.2599999999999998 111.402 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.622 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.8 OUTLIER -83.6 -23.04 32.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.518 -0.549 . . . . 1.8300000000000001 109.518 179.651 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.485 ' HD3' HG22 ' A' ' 853' ' ' THR . 2.1 ttm180 -60.7 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.405 -0.816 . . . . 2.7799999999999998 110.561 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 838' ' ' ARG . 0.0 OUTLIER -68.91 -29.01 67.2 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.927 -0.309 . . . . 2.75 110.331 178.287 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 836' ' ' ASN . 2.7 mt -63.06 -51.28 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 1.1399999999999999 110.47 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 829' ' ' VAL . 14.3 tp -63.08 -36.68 84.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 1.4299999999999999 110.705 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.2 -28.23 68.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.59999999999999998 111.289 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.37 -41.75 63.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 1.3400000000000001 110.227 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.672 ' HG3' HD23 ' A' ' 929' ' ' LEU . 2.3 mp0 -62.37 -38.45 89.62 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.469 0.652 . . . . 1.8500000000000001 109.808 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -61.63 -37.54 84.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.428 -0.806 . . . . 1.24 109.955 173.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.47 -33.21 85.69 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.396 -0.82 . . . . 0.52000000000000002 112.388 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 -29.8 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.69999999999999996 110.482 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -71.28 -44.9 64.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 1.5600000000000001 110.16 174.265 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.51 24.63 25.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.62 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.2 175.46 5.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.307 -0.257 . . . . 1.22 110.307 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 825' ' ' MET . 4.1 mm-40 -66.59 124.03 21.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.852 0.358 . . . . 2.3799999999999999 110.473 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.72 112.73 24.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.941 -0.572 . . . . 0.93999999999999995 111.14 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.6 127.43 55.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.469 -0.567 . . . . 1.4399999999999999 109.469 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.485 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -106.34 133.8 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.338 0.495 . . . . 0.62 112.338 -174.218 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.03 -172.29 3.85 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.417 -0.586 . . . . 0.46999999999999997 109.417 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.809 ' HB2' ' HA ' ' A' ' 832' ' ' ASP . 12.6 p-10 -156.53 75.28 0.85 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.902 0.704 . . . . 1.8999999999999999 112.902 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.66 ' HB3' ' H ' ' A' ' 859' ' ' ASP . 5.7 t0 164.13 162.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.379 0.672 . . . . 1.45 109.498 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.949 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -82.06 -35.89 19.9 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.332 -1.107 . . . . 0.57999999999999996 110.332 172.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 13.1 m -73.28 -31.15 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.996 0.427 . . . . 0.94999999999999996 110.117 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.66 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 7.8 t0 -76.06 -24.53 55.12 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.679 -0.489 . . . . 0.83999999999999997 109.679 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -47.33 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 0.51000000000000001 110.514 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.3 pp -73.55 -26.96 61.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.749 0.309 . . . . 1.8500000000000001 110.672 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.95 -55.54 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.059 0.457 . . . . 1.72 110.229 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.55 -30.98 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.109 -0.496 . . . . 0.89000000000000001 110.526 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -67.3 -32.46 73.45 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.417 -0.356 . . . . 1.6599999999999999 111.195 176.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 67.2 m -66.53 -33.77 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.952 -0.388 . . . . 0.81999999999999995 109.952 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 866' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 866' ' ' LYS . 0.4 OUTLIER -74.69 -57.19 4.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.953 -0.567 . . . . 3.46 110.503 175.483 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 867' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 1.9 t-20 -124.68 123.62 40.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.549 -0.537 . . . . 1.8600000000000001 109.549 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -71.41 89.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 3.1200000000000001 110.894 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.533 HG21 ' CB ' ' A' ' 828' ' ' LEU . 1.4 mp -67.91 145.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.726 -0.67 . . . . 1.0600000000000001 109.569 172.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -87.45 -68.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 1.6399999999999999 111.098 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.485 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.1 mt -99.74 130.78 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.03 110.158 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.05 131.25 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.69 0.281 . . . . 0.67000000000000004 111.564 -174.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.634 HD23 HD12 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -116.19 99.43 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.87 109.655 174.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.452 ' HA ' HG23 ' A' ' 830' ' ' VAL . 1.5 p -85.28 102.02 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.899 -0.408 . . . . 0.72999999999999998 109.899 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 8.7 t0 -105.0 124.45 49.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.3400000000000001 111.068 -173.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.8 122.55 62.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.93 -0.577 . . . . 1.29 110.745 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.558 ' HA ' ' HD3' ' A' ' 925' ' ' LYS . 0.1 OUTLIER -88.14 -14.76 37.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.467 0.651 . . . . 2.5499999999999998 109.625 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 16.3 tpt -84.22 118.22 70.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.916 -1.038 . . . . 3.6600000000000001 110.84 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.62 163.28 24.14 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.682 2.254 . . . . 3.48 111.403 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 64.1 t30 73.1 -52.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.641 0.588 . . . . 4.8700000000000001 110.946 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -102.4 74.17 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.071 -0.715 . . . . 5.5800000000000001 109.071 173.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.713 ' HB2' HG22 ' A' ' 903' ' ' THR . 5.8 p-10 -87.41 -153.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.391 -0.822 . . . . 4.9900000000000002 111.904 -173.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.542 ' HA2' HD21 ' A' ' 886' ' ' LEU . . . -99.36 12.4 61.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.186 -0.531 . . . . 3.04 113.293 -172.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.627 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 1.1 p90 -53.7 -65.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.426 0.632 . . . . 2.8399999999999999 111.807 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.2 tmm_? -60.83 -30.45 70.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 3.3599999999999999 111.737 -168.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.949 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 1.4 pp -76.94 -18.74 58.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.199 1.0 . . . . 2.3399999999999999 108.315 -172.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 884' ' ' TYR . 73.4 m -70.06 -35.72 74.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.481 -1.69 . . . . 1.28 108.226 173.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 5.6 tt0 -64.13 -39.11 93.33 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.77 -1.105 . . . . 2.1699999999999999 110.861 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.494 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.14 -36.8 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 2.3599999999999999 110.474 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.94 -35.46 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.943 0.401 . . . . 1.71 109.992 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.49 ' NH1' ' HG3' ' A' ' 888' ' ' GLN . 1.4 ttm180 -65.07 -43.97 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.874 -0.603 . . . . 2.2400000000000002 110.343 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -36.17 82.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 2.6200000000000001 111.346 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.36 -23.01 61.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.527 . . . . 1.9099999999999999 110.861 -178.069 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 98.67 82.86 1.69 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.8 -0.92 . . . . 1.1200000000000001 110.8 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.508 ' HB3' HG23 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -79.3 128.89 33.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.82 0.819 . . . . 2.8900000000000001 112.335 -172.216 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 896' ' ' THR . . . . . 0.774 ' H ' HD22 ' A' ' 897' ' ' LEU . 0.1 OUTLIER -112.22 6.42 18.97 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.314 -1.365 . . . . 2.4900000000000002 107.314 170.341 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 896' ' ' THR . 1.2 mm? -105.81 130.5 22.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 113.874 -1.512 . . . . 1.3999999999999999 111.729 -163.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.18 106.73 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.69 2.26 . . . . 0.72999999999999998 109.741 166.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.954 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 40.1 t -102.61 123.81 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.445 0.641 . . . . 0.64000000000000001 112.14 -171.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.634 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -104.62 112.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.41 -0.813 . . . . 0.64000000000000001 109.038 173.494 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.79 121.53 6.42 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.773 -0.727 . . . . 0.47999999999999998 112.451 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.16 94.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.235 -0.654 . . . . 1.04 109.235 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.713 HG22 ' HB2' ' A' ' 882' ' ' ASP . 0.3 OUTLIER -96.9 163.02 13.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.054 -0.521 . . . . 0.89000000000000001 111.693 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -121.68 104.2 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 1.1899999999999999 111.703 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.9 t30 40.63 59.98 2.01 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.278 0.987 . . . . 2.7000000000000002 113.097 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 909' ' ' GLU . . . -118.24 92.17 3.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.591 . . . . 2.8100000000000001 109.403 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 126.68 2.82 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.603 0.564 . . . . 3.9300000000000002 111.727 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 71.28 45.08 0.5 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.094 0.871 . . . . 2.0899999999999999 111.049 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 906' ' ' ALA . 4.4 mt-10 -58.45 -42.66 87.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 3.3100000000000001 110.238 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.103 -0.953 . . . . 3.5800000000000001 110.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -36.38 57.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.167 -0.469 . . . . 2.29 110.239 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.553 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -71.94 -35.53 69.63 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.299 -0.56 . . . . 2.6499999999999999 109.792 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -59.4 -40.76 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 4.0499999999999998 110.068 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.89 -35.41 78.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 1.6499999999999999 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -48.25 56.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.8799999999999999 111.745 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.627 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 5.2 mm-40 -77.93 -23.38 48.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.191 -0.459 . . . . 3.4700000000000002 111.328 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.6 m 52.11 53.0 13.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.787 1.403 . . . . 1.3500000000000001 114.787 167.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.44 25.14 1.53 Allowed Glycine 0 C--O 1.226 -0.363 0 C-N-CA 119.968 -1.11 . . . . 1.02 113.108 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.954 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.5 ttm -111.67 -125.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.479 -0.424 . . . . 2.0099999999999998 111.604 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.515 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.8 t70 177.2 -51.89 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.366 -0.834 . . . . 1.26 109.023 174.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 70.7 m -140.31 149.75 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.569 -0.741 . . . . 1.26 110.499 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.41 136.69 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 1.1299999999999999 110.997 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.56 -175.46 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.68999999999999995 109.084 177.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 903' ' ' THR . 2.1 m -128.53 158.31 38.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.704 -0.398 . . . . 0.89000000000000001 110.94 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 877' ' ' ASN . 4.4 tptp -45.5 -43.45 25.02 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 113.892 1.071 . . . . 1.1100000000000001 113.892 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 32.1 Cg_endo -65.89 68.15 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.006 1.804 . . . . 1.01 113.549 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.64 177.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.3600000000000001 110.175 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.13 167.16 24.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.401 -0.363 . . . . 0.92000000000000004 110.451 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -54.47 -46.83 73.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.804 0.442 . . . . 0.92000000000000004 111.774 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.32 -46.25 70.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.796 0.331 . . . . 1.8500000000000001 110.594 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 19.0 t -60.58 -40.29 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 0.93000000000000005 110.743 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -61.98 -47.33 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.1799999999999999 110.447 178.185 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.564 -0.289 . . . . 1.8999999999999999 111.421 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.58 -54.03 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 2.25 110.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.7 m -65.52 -42.93 91.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.971 -0.559 . . . . 0.62 111.54 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -64.18 -43.1 96.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.596 -0.274 . . . . 0.85999999999999999 111.233 -177.659 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 41.6 m -68.46 -31.67 71.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 0.87 110.891 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -43.29 93.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.509 . . . . 1.4199999999999999 110.4 175.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.97 -39.28 76.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.5900000000000001 110.948 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.56 91.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.60999999999999999 111.287 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -70.04 -35.69 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.912 -0.315 . . . . 1.8700000000000001 110.261 178.384 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.558 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 73.3 mtt180 -60.97 -48.73 80.47 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.167 -0.469 . . . . 3.1099999999999999 110.909 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 7.0 m -72.58 -31.24 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.75 110.989 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 3.5800000000000001 110.857 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 1.7 ptmt -75.5 -29.46 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.775 0.287 . . . . 2.7799999999999998 111.775 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.2 m -72.97 -47.77 42.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.939 -0.304 . . . . 1.3400000000000001 111.387 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.66 -20.77 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.535 -0.302 . . . . 3.5299999999999998 110.814 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 42.2 t0 74.0 -63.11 0.44 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.888 0.743 . . . . 2.6400000000000001 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.103 -0.951 . . . . 5.0899999999999999 109.72 175.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.407 -0.22 . . . . 7.0099999999999998 110.407 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.44 11.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.83 0.307 . . . . 5.3499999999999996 111.83 -173.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -115.37 96.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 5.29 111.262 -177.313 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.99 99.59 7.77 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.304 -0.407 . . . . 4.7199999999999998 110.738 177.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.55 173.19 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.242 -0.435 . . . . 4.7400000000000002 109.879 176.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -114.73 -56.45 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.676 -0.238 . . . . 4.8600000000000003 111.152 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.29 50.38 18.49 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.574 0.546 . . . . 5.0800000000000001 111.242 -177.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -128.6 84.99 2.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.404 0.621 . . . . 3.9900000000000002 110.782 -176.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.87 130.6 37.81 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 1.8999999999999999 110.112 175.591 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.821 ' HB2' ' HA ' ' A' ' 869' ' ' ILE . 0.0 OUTLIER -86.12 117.79 25.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 1.9299999999999999 109.749 -179.56 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.687 ' HB ' HD21 ' A' ' 844' ' ' LEU . 18.1 mm -116.55 132.08 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.526 . . . . 0.46999999999999997 111.196 -175.696 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 109.98 21.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.717 -0.674 . . . . 1.3700000000000001 110.231 178.077 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.679 HG13 HD22 ' A' ' 844' ' ' LEU . 0.6 OUTLIER -96.93 105.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.507 0.67 . . . . 1.0600000000000001 109.705 175.89 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 50.9 t -109.93 139.72 31.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.68 -0.691 . . . . 1.0700000000000001 110.641 -178.195 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 11.2 t0 -142.89 140.53 31.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.02 -1.104 . . . . 1.3 108.02 167.2 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 832' ' ' ASP . . . . . 0.584 ' HB3' HG12 ' A' ' 876' ' ' VAL . 1.3 p30 -72.34 -8.11 53.16 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 123.089 0.243 . . . . 2.0299999999999998 111.532 -175.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -128.29 175.72 3.27 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.589 -0.523 . . . . 2.1200000000000001 109.589 174.47 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.426 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 6.1 Cg_exo -81.97 -35.38 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.266 1.977 . . . . 1.1200000000000001 113.84 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.418 HG23 ' HD2' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -64.28 -47.98 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.349 0.499 . . . . 2.2599999999999998 112.349 -171.869 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -22.54 42.66 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.243 -0.583 . . . . 1.8300000000000001 109.684 -178.388 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.0 ttp180 -61.47 -53.15 60.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.83 -0.623 . . . . 2.7799999999999998 110.836 175.216 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -63.97 -32.62 74.22 Favored 'General case' 0 C--O 1.228 -0.034 0 C-N-CA 120.551 -0.46 . . . . 2.75 110.657 179.565 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.52 -52.97 55.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 1.1399999999999999 110.33 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.55 -41.45 97.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.763 -0.653 . . . . 1.4299999999999999 111.151 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.6 84.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.59999999999999998 110.96 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.22 -45.14 93.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.993 0.425 . . . . 1.3400000000000001 109.982 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.436 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -61.02 -48.41 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.634 -0.712 . . . . 1.8500000000000001 110.864 179.586 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 847' ' ' LEU . 35.8 tp -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.24 111.159 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.08 -38.06 95.96 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.987 -0.551 . . . . 0.52000000000000002 112.621 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.3 m -70.96 -25.11 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.69999999999999996 110.741 178.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 844' ' ' LEU . 0.1 OUTLIER -75.68 -28.63 58.76 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.167 -0.679 . . . . 1.5600000000000001 109.167 177.023 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.23 11.51 36.29 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.669 -0.696 . . . . 0.62 113.397 171.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -91.29 172.74 8.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.804 0.302 . . . . 1.22 110.251 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.657 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.4 tt0 -71.78 124.1 24.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.525 -0.307 . . . . 2.3799999999999999 110.274 179.214 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.569 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.5 OUTLIER -101.04 104.91 16.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.275 -0.421 . . . . 0.93999999999999995 111.222 -175.282 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.13 109.99 21.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.847 -0.427 . . . . 1.4399999999999999 109.847 175.673 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.447 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -91.39 130.23 37.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.946 0.403 . . . . 0.62 111.893 -175.014 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -144.87 160.98 40.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.46999999999999997 109.361 175.562 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 12.7 p-10 -131.44 70.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.192 -0.603 . . . . 1.8999999999999999 111.697 -175.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.621 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.4 t0 161.42 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.539 -1.21 . . . . 1.45 108.447 171.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.603 ' HA3' ' CB ' ' A' ' 886' ' ' LEU . . . -72.85 -40.85 51.29 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.21 -0.995 . . . . 0.57999999999999996 111.191 177.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 858' ' ' VAL . 0.4 OUTLIER -67.2 -31.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.94999999999999996 110.337 175.84 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.68 -41.18 90.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.83999999999999997 110.466 177.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -61.93 -40.37 95.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.092 -0.504 . . . . 0.51000000000000001 111.047 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.2 OUTLIER -70.47 -33.23 71.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.1 0.476 . . . . 1.8500000000000001 110.793 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -44.38 65.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.65 . . . . 1.72 109.484 178.327 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.8 -32.59 58.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.075 -0.966 . . . . 0.89000000000000001 110.256 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.39 -35.62 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 1.6599999999999999 110.679 174.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 31.8 m -77.61 -19.07 56.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.297 -0.411 . . . . 0.81999999999999995 111.507 -177.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -52.97 3.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.966 0.412 . . . . 3.46 111.196 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.23 -173.41 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 1.8600000000000001 110.111 -176.582 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -107.63 146.31 32.15 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.925 -0.769 . . . . 3.1200000000000001 108.925 172.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.821 ' HA ' ' HB2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -154.46 151.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.749 -0.463 . . . . 1.0600000000000001 109.749 -179.638 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.64 -49.56 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.948 0.404 . . . . 1.6399999999999999 110.586 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 7.1 mm -128.17 139.77 50.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.286 -0.416 . . . . 1.03 110.726 -178.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.2 126.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.444 -0.344 . . . . 0.67000000000000004 110.666 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -126.62 122.61 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.984 -0.376 . . . . 0.87 109.984 174.781 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.747 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -117.75 106.72 13.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.72999999999999998 111.183 -178.159 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -83.41 106.91 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 1.3400000000000001 109.66 176.394 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.584 HG12 ' HB3' ' A' ' 832' ' ' ASP . 0.2 OUTLIER -137.46 118.61 17.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.064 0.394 . . . . 1.29 112.064 -172.636 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.42 ' OD1' ' HB2' ' A' ' 906' ' ' ALA . 0.8 OUTLIER 178.51 47.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.247 0.832 . . . . 2.5499999999999998 113.247 169.713 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.725 ' H ' ' HD2' ' A' ' 879' ' ' PRO . 51.1 ttp -97.98 -46.17 0.23 Allowed Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.678 -0.489 . . . . 3.6600000000000001 109.678 164.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.725 ' HD2' ' H ' ' A' ' 878' ' ' MET . 19.0 Cg_endo -61.76 158.97 35.02 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.939 1.759 . . . . 3.48 111.21 168.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -88.52 -30.68 19.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.021 0.378 . . . . 4.8700000000000001 112.021 -172.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.07 73.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.471 0.545 . . . . 5.5800000000000001 112.471 -171.467 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -174.07 -164.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 4.9900000000000002 110.413 171.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 117.44 -8.37 15.51 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.311 -1.116 . . . . 3.04 110.311 -175.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.909 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 6.6 p90 -130.37 -38.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 2.8399999999999999 111.525 -178.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.671 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.48 -26.71 63.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.772 . . . . 3.3599999999999999 111.141 -166.166 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.603 ' CB ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -69.63 -28.65 66.09 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.988 0.899 . . . . 2.3399999999999999 108.851 -172.461 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.7 m -81.0 -27.08 36.0 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.223 -1.353 . . . . 1.28 109.869 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.9 -44.6 78.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.272 0.558 . . . . 2.1699999999999999 109.632 172.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.444 ' HB3' HD22 ' A' ' 861' ' ' LEU . 1.3 mmt180 -64.67 -38.68 91.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 2.3599999999999999 110.814 176.349 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 899' ' ' VAL . 12.2 mt -62.67 -46.36 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.565 . . . . 1.71 111.573 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.713 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.0 OUTLIER -72.64 -25.79 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.678 0.275 . . . . 2.2400000000000002 110.911 -178.128 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -42.43 95.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.189 -0.671 . . . . 2.6200000000000001 109.189 173.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 893' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 893' ' ' LEU . 0.2 OUTLIER -70.66 -40.03 73.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.717 . . . . 1.9099999999999999 110.268 177.119 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.53 44.25 4.04 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.914 -0.66 . . . . 1.1200000000000001 112.19 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 890' ' ' ILE . 4.4 mp -55.35 129.86 40.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.8900000000000001 111.045 178.647 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -93.99 18.78 10.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.731 -0.668 . . . . 2.4900000000000002 110.927 -176.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.51 149.08 60.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.364 -0.38 . . . . 1.3999999999999999 110.333 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.65 129.1 23.94 Favored 'Trans proline' 0 C--O 1.241 0.642 0 C-N-CA 122.987 2.458 . . . . 0.72999999999999998 112.932 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.843 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 11.0 t -109.3 122.32 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.657 -0.702 . . . . 0.64000000000000001 109.911 177.181 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.523 HG12 ' HB2' ' A' ' 921' ' ' SER . 23.1 mt -113.11 110.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 116.013 -0.54 . . . . 0.64000000000000001 110.198 179.726 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.25 116.82 4.78 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.901 -0.666 . . . . 0.47999999999999998 112.449 -177.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.801 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.9 t -87.98 96.84 6.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.842 -0.799 . . . . 1.04 108.842 175.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.471 HG22 HG23 ' A' ' 876' ' ' VAL . 36.6 p -126.75 137.27 53.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.464 -0.335 . . . . 0.89000000000000001 110.523 -173.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.617 ' HB2' ' H ' ' A' ' 925' ' ' LYS . . . -142.61 107.83 4.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.78 -0.368 . . . . 1.1899999999999999 111.784 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 84.83 45.19 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.381 1.05 . . . . 2.7000000000000002 111.13 176.103 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.839 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -100.83 15.27 28.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 2.8100000000000001 111.071 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.87 86.2 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.686 0.616 . . . . 3.9300000000000002 111.215 176.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.23 65.67 0.86 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.722 -0.672 . . . . 2.0899999999999999 110.556 -178.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.839 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 33.9 mp0 -63.82 -27.43 69.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.347 -0.842 . . . . 3.3100000000000001 110.813 -179.115 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 0.1 OUTLIER -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 3.5800000000000001 110.104 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 -39.07 64.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 2.29 110.734 179.06 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.909 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -70.67 -27.54 64.11 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.349 -0.54 . . . . 2.6499999999999999 109.742 178.104 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.737 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -59.74 -43.38 94.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.748 -0.66 . . . . 4.0499999999999998 110.347 173.841 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.25 -26.27 67.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.6499999999999999 110.473 174.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.4 mp -71.67 -52.41 18.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.295 0.48 . . . . 1.8799999999999999 112.295 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.737 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -77.11 -47.73 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 120.09 -0.644 . . . . 3.4700000000000002 110.608 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 917' ' ' SER . . . . . 0.631 ' HA ' ' NH2' ' A' ' 913' ' ' ARG . 10.4 m 49.07 51.34 16.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.963 1.098 . . . . 1.3500000000000001 113.963 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.713 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -139.22 12.22 3.29 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.195 -1.002 . . . . 1.02 112.084 171.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.843 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 mtm -87.81 -108.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.465 -0.368 . . . . 2.0099999999999998 110.843 -172.339 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.8 t70 159.47 -56.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.464 1.106 . . . . 1.26 109.155 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.523 ' HB2' HG12 ' A' ' 900' ' ' ILE . 50.7 m -135.47 163.97 28.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 1.26 110.299 -178.042 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 138.93 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 1.1299999999999999 110.614 -178.184 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 902' ' ' VAL . 0.1 OUTLIER -127.87 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.407 . . . . 0.68999999999999995 109.952 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.551 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.8 OUTLIER -106.45 157.77 17.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.677 -0.238 . . . . 0.89000000000000001 110.405 179.335 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.617 ' H ' ' HB2' ' A' ' 904' ' ' ALA . 0.1 OUTLIER -50.12 -40.97 61.59 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.63 0.974 . . . . 1.1100000000000001 113.63 -177.463 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 20.7 Cg_exo -68.36 60.1 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.186 1.924 . . . . 1.01 113.308 175.152 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.1 98.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.037 0.446 . . . . 1.3600000000000001 110.283 175.191 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.27 -178.08 6.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.96 -0.564 . . . . 0.92000000000000004 111.424 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 933' ' ' LYS . 0.7 OUTLIER -57.2 -46.18 83.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.171 -0.468 . . . . 0.92000000000000004 111.162 -178.927 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -36.47 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.597 -0.274 . . . . 1.8500000000000001 111.076 -177.438 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.29 -47.09 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.091 -0.337 . . . . 0.93000000000000005 110.091 178.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.81 -30.46 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.79 0.328 . . . . 1.1799999999999999 110.48 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.09 -48.47 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 1.8999999999999999 111.698 -177.608 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.9 OUTLIER -67.98 -40.68 83.09 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.608 -0.437 . . . . 2.25 110.643 -178.674 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.9 m -60.68 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.825 0.345 . . . . 0.62 110.901 177.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -63.22 -55.85 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.85999999999999999 111.331 -178.836 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 43.4 m -60.01 -44.13 94.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.87 112.094 -174.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -70.59 -37.1 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 1.4199999999999999 111.734 -176.094 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.468 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 0.6 OUTLIER -83.16 -30.51 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.494 -0.482 . . . . 1.5900000000000001 111.611 -177.059 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.66 88.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.743 0.306 . . . . 0.60999999999999999 110.212 176.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.98 -32.58 59.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 1.8700000000000001 110.114 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -62.07 -48.84 78.41 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.376 -0.374 . . . . 3.1099999999999999 110.292 179.43 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.7 m -71.59 -30.56 39.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.899 0.38 . . . . 0.75 110.408 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.84 77.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 3.5800000000000001 111.095 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -26.64 36.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.862 0.319 . . . . 2.7799999999999998 111.862 -177.12 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 25.2 m -76.37 -50.95 12.89 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.711 -0.396 . . . . 1.3400000000000001 111.267 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -26.0 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 3.5299999999999998 111.2 -176.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 24.2 t70 60.29 90.35 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.712 0.633 . . . . 2.6400000000000001 110.458 -176.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.349 -0.834 . . . . 5.0899999999999999 110.75 -174.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 817' ' ' LYS . 20.2 mmtt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.641 -0.503 . . . . 7.0099999999999998 109.641 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -139.82 124.82 18.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 5.3499999999999996 111.781 -176.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.16 102.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.71 -0.677 . . . . 5.29 109.869 175.571 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.63 90.39 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.806 0.336 . . . . 4.7199999999999998 110.934 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -165.33 124.12 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 4.7400000000000002 110.564 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -158.11 80.78 0.84 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.184 -0.462 . . . . 4.8600000000000003 110.517 177.274 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 65.92 0.8 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.577 0.703 . . . . 5.0800000000000001 109.166 172.73 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.79 56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.075 -0.966 . . . . 3.9900000000000002 111.237 -177.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 825' ' ' MET . . . . . 0.541 ' HB3' ' HD2' ' A' ' 849' ' ' TYR . 13.4 ttm -116.82 101.63 8.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 1.8999999999999999 110.064 177.394 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.585 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 49.2 ttm -86.51 111.12 20.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.9299999999999999 110.862 -178.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.663 HG23 ' HB ' ' A' ' 871' ' ' ILE . 0.2 OUTLIER -106.9 142.96 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.816 -0.629 . . . . 0.46999999999999997 109.717 177.907 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.558 HD21 HG11 ' A' ' 863' ' ' VAL . 3.4 mt -94.93 106.57 18.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.591 -0.277 . . . . 1.3700000000000001 111.144 -178.354 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 840' ' ' LEU . 3.0 m -91.17 95.43 5.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.678 0.751 . . . . 1.0600000000000001 109.617 175.398 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.694 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 16.6 t -114.06 136.47 50.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.71 -0.677 . . . . 1.0700000000000001 110.856 -175.834 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.606 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 2.7 t70 -158.65 131.04 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.884 -0.784 . . . . 1.3 108.884 169.232 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -15.75 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.632 0.605 . . . . 2.0299999999999998 112.632 -171.249 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 877' ' ' ASN . 0.0 OUTLIER -123.99 92.96 47.76 Favored Pre-proline 0 C--N 1.328 -0.351 0 O-C-N 121.9 -0.5 . . . . 2.1200000000000001 110.811 178.75 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 33.0 Cg_exo -21.01 -37.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.991 1 C-N-CA 127.562 5.508 . . . . 1.1200000000000001 118.971 -168.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -56.3 -46.54 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 119.0 0.818 . . . . 2.2599999999999998 112.375 -175.237 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -78.5 -29.5 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.855 -0.528 . . . . 1.8300000000000001 109.882 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 1.7 ttp180 -58.07 -50.16 74.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 2.7799999999999998 111.418 175.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.458 -0.337 . . . . 2.75 110.409 -179.777 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.81 78.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 1.1399999999999999 110.357 176.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 829' ' ' VAL . 49.5 tp -66.76 -41.41 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.728 -0.669 . . . . 1.4299999999999999 110.698 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.06 74.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.59999999999999998 110.84 178.224 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.68 -44.52 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.3400000000000001 110.421 177.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.9 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.9 mp0 -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 1.8500000000000001 110.649 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' ' 827' ' ' ILE . 27.8 tp -65.8 -33.92 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.976 0.417 . . . . 1.24 110.608 177.337 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.55 72.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.08 -0.581 . . . . 0.52000000000000002 111.963 176.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.6 m -82.26 -22.04 35.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.085 0.469 . . . . 0.69999999999999996 110.094 175.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 -33.97 60.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.683 -0.69 . . . . 1.5600000000000001 109.864 175.054 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 97.02 29.75 7.86 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.512 -0.767 . . . . 0.62 112.178 177.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 849' ' ' TYR . . . . . 0.541 ' HD2' ' HB3' ' A' ' 825' ' ' MET . 57.3 m-85 -116.5 156.48 26.83 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.37 -0.132 . . . . 1.22 110.673 -178.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.585 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 58.4 mt-30 -64.91 120.89 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 2.3799999999999999 110.561 -177.001 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 100.45 9.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.043 0.449 . . . . 0.93999999999999995 110.894 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 826' ' ' MET . 0.1 OUTLIER -87.9 113.33 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.403 -0.591 . . . . 1.4399999999999999 109.403 176.916 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.64 128.02 36.48 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.615 0.598 . . . . 0.62 112.615 -170.168 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.461 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -143.19 168.63 19.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.34 -0.846 . . . . 0.46999999999999997 108.909 174.523 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -141.45 72.73 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.042 -0.663 . . . . 1.8999999999999999 112.373 -178.638 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 5.6 t70 163.76 157.88 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.932 0.893 . . . . 1.45 109.389 174.788 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 1.03 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -71.25 -39.61 62.04 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.545 -0.836 . . . . 0.57999999999999996 111.243 177.349 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.479 HG22 ' OD1' ' A' ' 856' ' ' ASP . 35.2 m -72.84 -30.27 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.94999999999999996 110.148 177.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 14.0 t0 -60.2 -42.82 95.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.82 -0.627 . . . . 0.83999999999999997 110.43 177.667 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -65.83 -38.96 90.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.51000000000000001 111.252 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -69.63 -32.91 71.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.904 0.383 . . . . 1.8500000000000001 110.423 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -42.19 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 1.72 111.073 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.558 HG11 HD21 ' A' ' 828' ' ' LEU . 10.2 p -72.71 -31.27 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.52 -0.309 . . . . 0.89000000000000001 110.233 178.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -56.97 -45.12 83.13 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.169 -0.469 . . . . 1.6599999999999999 110.727 175.649 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -33.02 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.81999999999999995 111.389 -177.231 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -36.72 42.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.449 -0.341 . . . . 3.46 111.637 -176.763 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -111.5 -124.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.192 -0.299 . . . . 1.8600000000000001 110.192 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -142.19 -73.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.604 -0.517 . . . . 3.1200000000000001 109.604 178.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.519 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.5 mp 66.8 144.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.64 0.588 . . . . 1.0600000000000001 111.003 -177.366 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.37 -49.62 3.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.043 -0.411 . . . . 1.6399999999999999 111.038 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.663 ' HB ' HG23 ' A' ' 827' ' ' ILE . 4.8 mt -125.28 137.14 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.524 -0.307 . . . . 1.03 110.288 179.495 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.417 HG22 HD12 ' A' ' 828' ' ' LEU . 46.6 t -114.61 131.09 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.775 -0.193 . . . . 0.67000000000000004 111.437 -177.402 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.24 99.2 6.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.16 -0.681 . . . . 0.87 109.16 171.515 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.694 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.8 p -104.1 106.22 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.728 0.299 . . . . 0.72999999999999998 110.896 -176.38 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 49.5 t0 -99.72 138.97 36.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 1.3400000000000001 110.572 178.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.99 132.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.363 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 833' ' ' HIS . 29.2 t-20 -97.83 -48.63 5.11 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.394 -0.595 . . . . 2.5499999999999998 109.394 177.069 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 878' ' ' MET . . . . . 0.555 ' SD ' ' HD2' ' A' ' 879' ' ' PRO . 12.7 tpp -57.12 110.63 2.57 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.159 -0.928 . . . . 3.6600000000000001 111.502 178.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.555 ' HD2' ' SD ' ' A' ' 878' ' ' MET . 94.3 Cg_endo -82.69 -2.24 10.87 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.807 2.338 . . . . 3.48 112.228 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.92 6.51 11.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.479 0.657 . . . . 4.8700000000000001 110.756 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.59 106.86 3.88 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.584 -0.895 . . . . 5.5800000000000001 108.584 178.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.784 ' HB2' ' HD1' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -46.35 117.02 1.43 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.306 -0.861 . . . . 4.9900000000000002 110.422 178.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -68.81 9.47 1.92 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.679 -0.691 . . . . 3.04 113.698 -173.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.784 ' HD1' ' HB2' ' A' ' 882' ' ' ASP . 2.9 p90 -96.29 -37.94 10.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.494 0.664 . . . . 2.8399999999999999 110.925 175.61 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.628 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -59.39 -26.84 65.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.68 0.752 . . . . 3.3599999999999999 111.803 -164.233 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 1.03 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -79.26 -24.57 42.9 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.613 -0.884 . . . . 2.3399999999999999 108.613 -171.352 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 890' ' ' ILE . 17.3 m -73.48 -28.82 62.14 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.065 -1.425 . . . . 1.28 109.268 175.358 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 3.2 tp-100 -59.84 -41.96 92.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.412 -0.813 . . . . 2.1699999999999999 109.093 173.429 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.473 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -61.26 -36.43 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.499 -0.773 . . . . 2.3599999999999999 110.653 174.734 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 887' ' ' THR . 88.1 mt -65.25 -37.97 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.324 -0.398 . . . . 1.71 110.978 176.783 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.447 ' NH2' HE22 ' A' ' 888' ' ' GLN . 0.0 OUTLIER -64.19 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 2.2400000000000002 110.686 178.501 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -80.42 -29.99 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.773 -0.649 . . . . 2.6200000000000001 110.241 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -46.53 74.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.609 -0.723 . . . . 1.9099999999999999 109.972 176.346 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 124.6 78.14 0.34 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.962 -0.637 . . . . 1.1200000000000001 111.758 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.786 HD22 ' HA2' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -78.91 136.12 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.258 0.552 . . . . 2.8900000000000001 111.03 -178.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 896' ' ' THR . . . . . 0.49 ' H ' HD23 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -147.92 29.04 0.91 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.547 -0.752 . . . . 2.4900000000000002 109.25 172.78 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 896' ' ' THR . 0.7 OUTLIER -145.27 153.79 52.87 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.836 -1.074 . . . . 1.3999999999999999 109.502 -176.589 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 14.6 Cg_exo -69.42 117.34 5.0 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.833 2.355 . . . . 0.72999999999999998 112.676 -178.361 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.853 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -111.16 122.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.389 0.614 . . . . 0.64000000000000001 110.562 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.621 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -108.46 111.45 36.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.856 -0.611 . . . . 0.64000000000000001 109.771 177.201 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.44 108.59 3.69 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.698 -0.763 . . . . 0.47999999999999998 112.702 -175.514 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 2.9 t -80.46 120.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.761 -0.829 . . . . 1.04 108.761 174.558 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.7 p -136.48 151.87 49.93 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.29 -0.564 . . . . 0.89000000000000001 111.951 -172.332 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -79.34 165.07 23.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 1.1899999999999999 109.407 171.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.85 -74.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.522 0.514 . . . . 2.7000000000000002 110.295 -177.067 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 54.59 43.88 29.55 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.991 0.516 . . . . 2.8100000000000001 112.066 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 2.0 mp -98.29 -41.18 7.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.443 . . . . 3.9300000000000002 110.142 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -111.47 47.16 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.656 . . . . 2.0899999999999999 110.204 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -69.33 -39.06 78.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 3.3100000000000001 110.814 -177.054 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.23 -42.15 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.054 0.454 . . . . 3.5800000000000001 109.882 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -42.16 89.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.556 -0.747 . . . . 2.29 110.971 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.726 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 32.8 mt-30 -72.58 -35.31 67.89 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.299 -0.56 . . . . 2.6499999999999999 111.07 -177.05 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.769 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 2.1 ttp-105 -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.367 . . . . 4.0499999999999998 110.93 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 28.4 m -74.75 -28.01 60.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.138 0.494 . . . . 1.6499999999999999 109.81 174.105 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -72.2 -52.88 14.47 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.665 -0.698 . . . . 1.8799999999999999 112.329 -178.605 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.769 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -78.65 -37.7 41.35 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.006 -0.678 . . . . 3.4700000000000002 110.467 -178.025 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 47.74 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.901 0.75 . . . . 1.3500000000000001 112.373 177.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 918' ' ' GLY . . . . . 0.786 ' HA2' HD22 ' A' ' 895' ' ' LEU . . . -144.7 11.91 1.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.106 -1.045 . . . . 1.02 112.635 176.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.853 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -100.22 -116.21 0.16 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.081 0.467 . . . . 2.0099999999999998 111.652 -173.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.9 t70 172.49 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.14 -1.43 . . . . 1.26 107.14 -178.049 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 5.5 m -148.66 159.77 43.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.111 -0.949 . . . . 1.26 109.854 176.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 62.4 m -114.73 150.59 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.664 0.269 . . . . 1.1299999999999999 110.603 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 902' ' ' VAL . 5.9 mt -131.37 167.72 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.856 -0.424 . . . . 0.68999999999999995 109.856 178.213 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.99 143.81 25.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.437 -0.347 . . . . 0.89000000000000001 110.309 178.558 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.551 ' HA ' HG12 ' A' ' 902' ' ' VAL . 2.4 tttp -48.54 -50.16 60.33 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 113.437 0.903 . . . . 1.1100000000000001 113.437 -178.455 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.0 Cg_exo -75.34 58.6 5.16 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.339 2.026 . . . . 1.01 113.313 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.02 146.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 1.3600000000000001 110.603 175.414 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.18 179.85 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 0.92000000000000004 111.263 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.9 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -62.56 -47.98 81.47 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.686 0.279 . . . . 0.92000000000000004 111.714 -172.462 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.23 -41.95 63.16 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.846 -0.342 . . . . 1.8500000000000001 110.429 -175.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.14 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.939 -0.573 . . . . 0.93000000000000005 110.539 177.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.664 HG23 HD23 ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.82 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 1.1799999999999999 110.146 176.754 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -48.21 76.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 1.8999999999999999 111.846 -178.203 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -60.55 -48.83 80.04 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.952 0.406 . . . . 2.25 110.556 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 4.1 m -63.05 -45.52 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.62 111.749 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.664 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.41 -46.19 80.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.717 -0.22 . . . . 0.85999999999999999 111.134 -178.418 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 48.2 m -62.97 -42.04 99.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.408 -0.36 . . . . 0.87 111.041 -178.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 1.4199999999999999 111.263 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 942' ' ' ARG . 7.9 m-85 -78.31 -34.11 48.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 1.5900000000000001 111.063 -178.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -62.72 -42.92 99.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.60999999999999999 110.513 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.64 -24.55 58.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.441 -0.345 . . . . 1.8700000000000001 110.373 177.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -67.06 -47.97 69.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 3.1099999999999999 110.241 177.555 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.25 -30.81 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.75 110.226 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -63.94 -46.9 82.65 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.142 -0.481 . . . . 3.5800000000000001 110.688 177.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -72.33 -24.74 61.35 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.135 -0.226 . . . . 2.7799999999999998 111.303 -179.121 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.7 m -81.51 -23.69 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 1.3400000000000001 111.512 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -94.47 -47.06 6.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 3.5299999999999998 111.088 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.61 81.57 5.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.634 . . . . 2.6400000000000001 110.813 -177.349 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 5.0899999999999999 110.087 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.156 -0.313 . . . . 7.0099999999999998 110.156 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -147.34 153.72 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.382 . . . . 5.3499999999999996 110.429 178.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.89 133.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.08 -0.509 . . . . 5.29 110.112 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 3.6 m -101.01 153.98 19.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.471 -0.331 . . . . 4.7199999999999998 110.12 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.19 -167.56 1.62 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.374 -0.375 . . . . 4.7400000000000002 110.853 -174.828 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 74.77 93.75 0.07 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.19 -0.914 . . . . 4.8600000000000003 112.769 170.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.19 63.46 7.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.261 -1.014 . . . . 5.0800000000000001 108.261 167.09 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.5 59.76 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.478 -1.237 . . . . 3.9900000000000002 112.038 -169.417 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 104.93 10.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.054 -0.721 . . . . 1.8999999999999999 109.054 172.759 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.913 ' HG2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.14 114.34 26.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.166 0.508 . . . . 1.9299999999999999 111.189 -172.798 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.4 mm -112.41 131.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.032 -0.531 . . . . 0.46999999999999997 110.53 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.622 HD13 HG11 ' A' ' 863' ' ' VAL . 11.3 tp -102.17 118.42 36.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.986 -0.552 . . . . 1.3700000000000001 110.117 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -112.51 116.99 54.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 1.0600000000000001 110.233 -176.847 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.93 HG12 ' HB3' ' A' ' 854' ' ' ALA . 7.5 m -123.08 140.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.836 -0.346 . . . . 1.0700000000000001 110.643 176.54 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.574 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 7.8 t70 -143.99 131.76 21.37 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 1.3 108.885 169.459 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -74.88 21.06 0.12 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.47 0.652 . . . . 2.0299999999999998 111.834 -178.536 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.661 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 6.9 m80 -140.9 161.86 51.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.411 -0.959 . . . . 2.1200000000000001 108.411 179.133 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.87 -27.91 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.176 1.918 . . . . 1.1200000000000001 112.733 177.131 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.7 OUTLIER -71.1 -48.87 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.127 0.417 . . . . 2.2599999999999998 112.127 -173.631 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -26.37 29.34 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.415 -0.514 . . . . 1.8300000000000001 110.215 -177.068 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -53.73 -47.72 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.3 0.571 . . . . 2.7799999999999998 109.754 171.574 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.554 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.86 -49.97 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.215 -0.902 . . . . 2.75 110.692 178.105 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.554 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -69.89 -40.56 75.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.92 -0.582 . . . . 1.1399999999999999 112.263 -169.507 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.474 HD23 HG23 ' A' ' 829' ' ' VAL . 27.4 tp -71.16 -36.21 71.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.994 -0.548 . . . . 1.4299999999999999 110.254 -179.36 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.59999999999999998 110.155 174.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.7 -56.21 24.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.449 -0.796 . . . . 1.3400000000000001 110.009 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.829 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.88 -38.03 89.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 1.8500000000000001 111.298 -178.924 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 827' ' ' ILE . 36.9 tp -65.39 -33.94 77.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 1.24 110.43 177.119 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.56 -38.46 94.73 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.903 -0.665 . . . . 0.52000000000000002 111.701 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.2 m -69.33 -29.42 67.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.69999999999999996 110.732 177.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.2 OUTLIER -63.48 -30.67 71.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.276 0.56 . . . . 1.5600000000000001 110.424 177.513 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.27 32.02 15.13 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.62 112.337 177.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -113.83 164.9 13.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.219 -0.289 . . . . 1.22 110.219 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 118.09 10.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.501 -0.318 . . . . 2.3799999999999999 110.231 178.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.56 118.49 36.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.76 0.314 . . . . 0.93999999999999995 111.375 -176.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 110.9 16.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.2 -0.667 . . . . 1.4399999999999999 109.2 174.312 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 829' ' ' VAL . 0.2 OUTLIER -96.52 142.12 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.514 0.673 . . . . 0.62 112.734 -172.619 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.93 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -149.99 -168.3 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.875 -1.057 . . . . 0.46999999999999997 108.563 174.764 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 18.1 p-10 -157.06 73.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.15 -0.62 . . . . 1.8999999999999999 111.164 -176.058 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 1.011 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 11.6 t0 163.43 148.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.078 -0.965 . . . . 1.45 109.019 177.488 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.442 ' HA3' HD23 ' A' ' 886' ' ' LEU . . . -73.24 -38.36 54.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.626 -0.797 . . . . 0.57999999999999996 111.783 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.97 -31.69 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.182 -0.303 . . . . 0.94999999999999996 110.182 177.761 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 1.011 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.2 OUTLIER -67.17 -27.64 67.46 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.83999999999999997 110.181 175.748 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.498 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -62.0 -52.57 63.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.705 -0.68 . . . . 0.51000000000000001 110.665 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 890' ' ' ILE . 1.2 pp -72.73 -28.05 62.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 1.8500000000000001 110.691 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.16 -44.46 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.72 109.767 173.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -64.75 -32.76 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.539 -0.755 . . . . 0.89000000000000001 110.322 177.857 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.6599999999999999 110.582 176.461 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 1.3 m -80.92 -19.15 44.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.157 0.503 . . . . 0.81999999999999995 110.654 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -77.88 -48.38 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 3.46 110.495 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 867' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 868' ' ' HIS . 22.5 t30 -128.97 -104.84 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 1.8600000000000001 110.127 -179.668 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 868' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 867' ' ' ASN . 1.5 t-80 -178.14 144.9 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.261 -0.644 . . . . 3.1200000000000001 109.261 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.913 HG13 ' HG2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -150.84 148.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.362 -0.607 . . . . 1.0600000000000001 109.362 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.26 -46.37 8.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.6399999999999999 111.055 -175.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 827' ' ' ILE . 11.8 mm -120.56 125.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.486 -179.133 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.612 HG23 HD11 ' A' ' 897' ' ' LEU . 75.8 t -108.36 132.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.796 -0.184 . . . . 0.67000000000000004 110.983 -178.543 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -127.23 113.84 16.86 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.093 -0.336 . . . . 0.87 110.093 174.5 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -107.6 101.67 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.72999999999999998 111.301 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.787 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 39.2 t0 -81.62 108.72 15.41 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.498 0.666 . . . . 1.3400000000000001 110.682 178.476 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.15 122.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.028 -0.987 . . . . 1.29 111.233 -175.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 833' ' ' HIS . 8.1 t-20 -147.01 101.81 3.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.52 -0.764 . . . . 2.5499999999999998 108.949 175.337 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 36.2 ttm -150.04 139.33 13.08 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 115.426 -0.806 . . . . 3.6600000000000001 109.359 -175.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -44.06 -54.23 4.03 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.268 2.645 . . . . 3.48 112.552 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.13 92.67 5.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.876 -0.787 . . . . 4.8700000000000001 108.876 170.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.49 ' HG3' ' HA ' ' A' ' 906' ' ' ALA . 0.0 OUTLIER -75.92 70.58 2.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.023 -0.535 . . . . 5.5800000000000001 111.83 -173.259 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.5 22.83 7.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.419 0.628 . . . . 4.9900000000000002 109.537 174.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 883' ' ' GLY . . . . . 0.537 ' O ' ' HB2' ' A' ' 886' ' ' LEU . . . -60.04 -35.04 86.13 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-N 115.308 -0.86 . . . . 3.04 112.644 -178.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.66 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 25.1 p90 -61.06 -45.78 93.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.902 0.858 . . . . 2.8399999999999999 110.204 175.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.23 -24.64 28.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.16 0.981 . . . . 3.3599999999999999 110.09 -174.478 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -62.66 -35.68 80.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.682 -1.145 . . . . 2.3399999999999999 108.598 -175.768 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 890' ' ' ILE . 54.2 m -76.23 -27.02 56.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.469 -1.696 . . . . 1.28 109.502 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 23.7 tp60 -58.92 -36.37 74.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 2.1699999999999999 109.542 174.493 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.477 ' HD2' ' O ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -66.94 -38.8 86.81 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.396 -0.365 . . . . 2.3599999999999999 110.099 174.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.825 HG23 ' HB2' ' A' ' 895' ' ' LEU . 8.9 mt -55.22 -48.47 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.211 -0.449 . . . . 1.71 110.703 175.223 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -65.44 -38.89 91.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 2.2400000000000002 110.446 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -42.57 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 2.6200000000000001 110.785 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.5 -47.71 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.9099999999999999 110.092 177.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.52 24.09 2.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.478 -0.867 . . . . 1.1200000000000001 112.559 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.825 ' HB2' HG23 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -83.69 120.87 26.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 2.8900000000000001 109.875 178.534 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.9 t -115.57 9.72 15.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.353 0.597 . . . . 2.4900000000000002 110.937 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 872' ' ' VAL . 0.4 OUTLIER -72.66 159.0 86.44 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.3999999999999999 110.195 179.349 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 897' ' ' LEU . 18.5 Cg_endo -59.76 104.88 0.24 Allowed 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.811 2.341 . . . . 0.72999999999999998 113.038 -177.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.825 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 43.1 t -105.16 115.69 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.993 -0.549 . . . . 0.64000000000000001 110.169 175.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 2.0 mt -106.38 110.35 31.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.995 -0.548 . . . . 0.64000000000000001 109.826 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -88.45 122.33 6.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.608 -0.806 . . . . 0.47999999999999998 112.259 -177.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.787 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 3.0 t -82.6 94.04 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 174.863 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 16.8 p -101.91 124.47 47.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.001 -0.545 . . . . 0.89000000000000001 111.748 -171.02 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.827 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -103.9 105.35 15.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 1.1899999999999999 110.067 174.176 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 56.91 70.03 0.69 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.857 0.723 . . . . 2.7000000000000002 111.563 -178.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.49 ' HA ' ' HG3' ' A' ' 881' ' ' MET . . . -104.49 27.95 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 2.8100000000000001 110.072 176.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.457 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.1 OUTLIER 57.63 -110.8 0.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 3.9300000000000002 110.342 -175.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -101.91 92.67 4.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.744 -0.465 . . . . 2.0899999999999999 109.744 175.582 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.2 -38.55 83.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 3.3100000000000001 111.816 -174.288 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -36.24 74.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 3.5800000000000001 110.902 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -71.57 -39.56 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.337 -0.392 . . . . 2.29 110.442 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.66 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.6 mp0 -69.88 -29.61 66.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.585 -0.524 . . . . 2.6499999999999999 109.585 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.511 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 11.4 mtm-85 -68.33 -26.37 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 4.0499999999999998 110.548 176.01 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -72.99 -29.09 62.78 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.647 -0.501 . . . . 1.6499999999999999 109.647 172.243 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 912' ' ' GLN . 41.6 mt -73.13 -54.28 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.8799999999999999 112.18 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.31 -43.9 22.68 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 3.4700000000000002 111.321 -178.107 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 40.0 m 51.14 51.96 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.604 0.964 . . . . 1.3500000000000001 113.604 175.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -146.11 11.82 1.62 Allowed Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.301 -0.952 . . . . 1.02 111.889 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.825 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.2 OUTLIER -91.83 -117.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.036 0.446 . . . . 2.0099999999999998 111.471 -173.51 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.494 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.1 t70 172.61 -57.92 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.482 -0.781 . . . . 1.26 109.056 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 900' ' ' ILE . 43.1 m -148.65 156.54 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.213 -0.903 . . . . 1.26 110.251 -177.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.443 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 98.4 m -125.73 134.39 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.837 0.351 . . . . 1.1299999999999999 110.696 178.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.33 -178.26 3.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.546 . . . . 0.68999999999999995 109.549 177.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 6.7 m -106.14 155.24 19.64 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.061 -0.348 . . . . 0.89000000000000001 110.061 176.022 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.827 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 19.0 tttp -53.03 -47.88 94.01 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.078 0.77 . . . . 1.1100000000000001 113.078 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 60.0 Cg_endo -72.6 66.13 3.8 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.0 1.8 . . . . 1.01 113.012 177.158 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.04 116.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.198 0.523 . . . . 1.3600000000000001 110.319 176.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.06 166.12 17.97 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.836 -0.62 . . . . 0.92000000000000004 110.531 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.829 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -58.68 -37.75 76.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.97 0.415 . . . . 0.92000000000000004 110.071 177.324 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.71 -56.96 15.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.593 -0.731 . . . . 1.8500000000000001 110.292 -178.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 46.5 t -60.9 -46.19 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.475 -0.784 . . . . 0.93000000000000005 110.956 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.643 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 5.4 mt -57.73 -43.62 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 1.1799999999999999 111.095 -178.148 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -48.25 70.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.793 0.294 . . . . 1.8999999999999999 111.793 -176.316 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 934' ' ' GLN . . . . . 0.425 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.7 OUTLIER -66.49 -41.97 88.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 2.25 111.202 -176.245 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.9 m -72.89 -41.99 64.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.599 0.222 . . . . 0.62 111.599 -178.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -67.07 -49.04 66.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.471 0.177 . . . . 0.85999999999999999 110.799 -176.833 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 6.6 m -65.55 -36.45 83.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.508 -0.314 . . . . 0.87 111.038 -178.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.57 -41.79 98.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.804 0.335 . . . . 1.4199999999999999 110.793 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 943' ' ' VAL . 13.1 m-30 -82.93 -28.63 29.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.441 -0.345 . . . . 1.5900000000000001 111.265 -177.334 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.03 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.526 -0.546 . . . . 0.60999999999999999 109.526 174.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.98 76.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.8700000000000001 109.421 174.09 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -59.49 -47.59 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 3.1099999999999999 110.916 -178.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 939' ' ' TYR . 2.5 m -74.85 -33.63 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.859 -0.337 . . . . 0.75 110.747 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.93 98.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 3.5800000000000001 110.811 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -18.76 37.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.633 0.254 . . . . 2.7799999999999998 110.985 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 31.2 m -65.72 -33.38 75.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.138 0.494 . . . . 1.3400000000000001 109.85 175.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.15 -45.51 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 3.5299999999999998 109.855 172.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 948' ' ' ASP . . . . . 0.42 ' HB3' ' H ' ' A' ' 949' ' ' SER . 5.4 t70 67.95 -89.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.939 -1.028 . . . . 2.6400000000000001 111.182 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 949' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 948' ' ' ASP . 3.1 m . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.731 -0.652 . . . . 5.0899999999999999 109.979 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.647 0.261 . . . . 7.0099999999999998 111.054 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -151.76 83.7 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 5.3499999999999996 110.465 178.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 10.0 p -155.76 143.9 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.401 -0.363 . . . . 5.29 110.754 -178.314 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 12.9 m -113.87 136.73 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.429 -0.582 . . . . 4.7199999999999998 109.429 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -130.82 134.22 46.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.631 -0.259 . . . . 4.7400000000000002 111.295 -172.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -165.92 81.08 0.29 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.35 0.595 . . . . 4.8600000000000003 111.717 178.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.9 52.03 2.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.773 0.797 . . . . 5.0800000000000001 109.582 172.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.46 61.3 6.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.046 -0.979 . . . . 3.9900000000000002 111.674 -171.197 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.06 95.35 4.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 1.8999999999999999 110.306 177.274 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.419 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.8 OUTLIER -83.54 121.54 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 1.9299999999999999 110.659 179.232 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.785 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.5 mm -118.57 143.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.46999999999999997 109.947 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.573 HD11 HG13 ' A' ' 863' ' ' VAL . 0.8 OUTLIER -99.51 103.8 15.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.381 -0.372 . . . . 1.3700000000000001 110.76 -178.756 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.582 HG13 HD22 ' A' ' 844' ' ' LEU . 1.1 m -88.54 95.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.711 0.767 . . . . 1.0600000000000001 109.648 175.193 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.0 t -106.75 131.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.38 -0.827 . . . . 1.0700000000000001 109.857 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 0.8 OUTLIER -157.07 135.32 11.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.033 -0.358 . . . . 1.3 110.033 171.883 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -4.3 58.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.114 -0.494 . . . . 2.0299999999999998 112.197 -174.126 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 833' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 1.9 t-160 -118.86 85.28 27.92 Favored Pre-proline 0 N--CA 1.465 0.29 0 O-C-N 122.042 -0.412 . . . . 2.1200000000000001 110.791 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 834' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 10.3 Cg_exo -22.43 -49.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 126.506 4.804 . . . . 1.1200000000000001 117.561 -168.091 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -36.67 48.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 118.242 0.474 . . . . 2.2599999999999998 111.74 -177.331 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -44.44 61.02 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.747 -0.464 . . . . 1.8300000000000001 109.747 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.509 ' HD3' HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -53.97 -40.84 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.006 0.522 . . . . 2.7799999999999998 110.908 175.489 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 838' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.82 -51.35 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 2.75 110.485 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 839' ' ' LEU . . . . . 0.502 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -78.09 -25.45 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.852 -0.613 . . . . 1.1399999999999999 111.072 -173.769 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' A' ' 829' ' ' VAL . 23.0 tp -71.69 -43.44 65.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.563 -0.744 . . . . 1.4299999999999999 109.951 178.19 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.56 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.872 -0.603 . . . . 0.59999999999999998 110.114 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.83 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 1.3400000000000001 109.772 175.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.689 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.78 -47.95 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 1.8500000000000001 110.858 178.129 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.785 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.1 tp -61.78 -37.55 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 1.24 111.229 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -27.01 72.43 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.009 -0.615 . . . . 0.52000000000000002 112.02 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.7 m -77.02 -25.08 52.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.69999999999999996 110.158 176.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 844' ' ' LEU . 4.0 mt -77.81 -24.36 48.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.5600000000000001 110.373 176.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 88.37 21.14 45.86 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.828 -0.701 . . . . 0.62 112.759 177.42 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 849' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' A' ' 847' ' ' LEU . 18.7 m-85 -105.41 171.11 7.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.764 0.316 . . . . 1.22 110.437 179.245 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.63 118.66 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 2.3799999999999999 110.748 -178.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 851' ' ' CYS . . . . . 0.595 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.51 99.81 11.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.4 . . . . 0.93999999999999995 111.211 -179.45 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -89.02 122.33 32.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.307 -0.627 . . . . 1.4399999999999999 109.307 175.713 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.509 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.45 137.72 32.13 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 0.62 112.567 -171.217 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.51 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -155.67 168.3 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.178 -0.675 . . . . 0.46999999999999997 109.178 173.714 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 8.1 p-10 -151.46 73.18 1.07 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.025 -0.67 . . . . 1.8999999999999999 112.782 -177.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 31.3 t70 163.73 157.73 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.663 0.785 . . . . 1.45 109.518 173.578 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.45 -50.07 57.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.86 . . . . 0.57999999999999996 111.944 178.637 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.641 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -74.0 -28.5 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.94999999999999996 110.763 179.377 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.765 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 27.6 t0 -57.08 -34.41 68.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.352 -0.386 . . . . 0.83999999999999997 110.527 176.358 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.604 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.73 -33.63 70.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.51000000000000001 110.699 177.284 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 861' ' ' LEU . . . . . 0.641 HD13 ' HA ' ' A' ' 858' ' ' VAL . 7.4 mp -71.07 -41.08 71.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 1.8500000000000001 110.246 178.426 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -51.93 67.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.484 -0.78 . . . . 1.72 110.557 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.573 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.38 -32.34 52.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.389 -0.369 . . . . 0.89000000000000001 110.934 -179.503 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -64.03 -38.02 89.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.16 0.505 . . . . 1.6599999999999999 111.079 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.1 m -72.6 -30.51 64.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.81999999999999995 110.856 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -38.84 47.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 3.46 110.924 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -145.29 130.44 18.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.623 -0.51 . . . . 1.8600000000000001 109.623 178.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 84.1 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.121 0.486 . . . . 3.1200000000000001 111.702 -174.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.493 HD13 ' HG ' ' A' ' 828' ' ' LEU . 2.8 mp -68.64 147.6 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.153 -0.93 . . . . 1.0600000000000001 109.871 171.351 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 870' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 5.4 t0 -84.86 -52.81 5.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.974 0.416 . . . . 1.6399999999999999 111.796 -174.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.9 mm -108.49 121.49 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.592 -0.276 . . . . 1.03 110.425 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 828' ' ' LEU . 13.2 t -110.13 132.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.887 -0.325 . . . . 0.67000000000000004 110.862 -178.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -130.33 111.16 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.79 -0.448 . . . . 0.87 109.79 173.12 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.596 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -102.49 102.66 12.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.72999999999999998 111.201 -176.383 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 50.4 t0 -89.16 120.84 30.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.703 -0.68 . . . . 1.3400000000000001 110.052 176.577 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.15 125.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 1.29 110.857 -176.686 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.939 ' HB2' ' HE2' ' A' ' 925' ' ' LYS . 32.1 t30 -105.38 -30.31 9.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.797 -0.816 . . . . 2.5499999999999998 108.797 178.541 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.66 83.14 21.3 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.672 -1.149 . . . . 3.6600000000000001 110.696 179.629 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.533 ' HB2' ' H ' ' A' ' 880' ' ' ASN . 1.9 Cg_endo -82.57 -118.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.884 2.389 . . . . 3.48 111.396 178.404 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 880' ' ' ASN . . . . . 0.533 ' H ' ' HB2' ' A' ' 879' ' ' PRO . 31.1 t30 -172.77 -99.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.509 -0.552 . . . . 4.8700000000000001 109.509 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.412 ' H ' ' HB3' ' A' ' 880' ' ' ASN . 0.0 OUTLIER -91.33 90.15 7.59 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.82 -0.437 . . . . 5.5800000000000001 109.82 177.602 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 72.63 -48.79 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.599 0.76 . . . . 4.9900000000000002 111.745 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.84 15.23 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.462 -0.875 . . . . 3.04 113.605 175.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.723 ' HB3' ' HG3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER -64.82 -34.84 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.668 1.223 . . . . 2.8399999999999999 112.013 -178.788 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.71 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.46 -26.19 68.61 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.323 -0.853 . . . . 3.3599999999999999 112.95 -158.109 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.506 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -70.12 -31.0 68.33 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.329 1.061 . . . . 2.3399999999999999 108.355 -169.184 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 2.9 m -79.23 -26.83 42.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.815 -1.538 . . . . 1.28 109.182 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 2.9 tm0? -60.79 -45.82 92.9 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.586 -0.734 . . . . 2.1699999999999999 109.808 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.03 83.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.44 -0.8 . . . . 2.3599999999999999 110.371 175.241 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 887' ' ' THR . 71.4 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.881 0.372 . . . . 1.71 111.076 175.163 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 2.2400000000000002 110.67 178.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -61.3 -36.06 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 2.6200000000000001 110.485 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -38.49 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 1.9099999999999999 110.805 177.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 87.71 56.01 2.19 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.853 -0.899 . . . . 1.1200000000000001 110.853 -172.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -44.95 134.99 5.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.276 0.631 . . . . 2.8900000000000001 112.464 -179.838 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.22 22.9 13.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.546 -0.752 . . . . 2.4900000000000002 110.278 176.811 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 864' ' ' LEU . 0.4 OUTLIER -157.93 156.23 27.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 1.3999999999999999 109.937 -175.633 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.753 ' HB2' ' HE2' ' A' ' 939' ' ' TYR . 3.1 Cg_exo -75.92 138.33 20.75 Favored 'Trans proline' 0 C--O 1.244 0.778 0 C-N-CA 122.962 2.441 . . . . 0.72999999999999998 112.813 -177.545 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 41.6 t -116.12 125.77 73.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.794 -0.639 . . . . 0.64000000000000001 111.52 -178.501 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.8 OUTLIER -103.55 108.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.72 . . . . 0.64000000000000001 109.646 175.1 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.96 109.75 3.47 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.409 -0.9 . . . . 0.47999999999999998 112.18 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.612 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.7 OUTLIER -90.33 94.81 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.774 -0.824 . . . . 1.04 108.774 176.048 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 903' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.8 OUTLIER -102.21 138.59 38.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.166 -0.47 . . . . 0.89000000000000001 111.736 -172.214 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -89.68 104.26 16.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 1.1899999999999999 110.539 176.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 24.3 t30 55.13 49.39 17.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.375 -0.829 . . . . 2.7000000000000002 112.276 176.033 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -92.29 83.68 5.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 2.8100000000000001 109.777 176.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 132.25 27.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.837 -0.62 . . . . 3.9300000000000002 111.096 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 61.83 56.52 2.37 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.815 -0.63 . . . . 2.0899999999999999 110.613 -177.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -38.07 76.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.719 -0.673 . . . . 3.3100000000000001 110.657 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 2.4 pm0 -62.15 -30.95 71.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 3.5800000000000001 110.575 179.11 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -77.65 -30.8 52.32 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.474 -0.33 . . . . 2.29 110.761 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.723 ' HG3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -66.82 -40.57 88.09 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.312 -1.366 . . . . 2.6499999999999999 107.312 172.944 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.673 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 5.4 ttp180 -58.25 -30.24 66.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.552 -0.749 . . . . 4.0499999999999998 111.501 178.641 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 59.0 m -68.34 -39.75 81.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 1.6499999999999999 110.233 173.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 915' ' ' LEU . 0.2 OUTLIER -72.97 -54.5 8.46 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.444 0.535 . . . . 1.8799999999999999 112.444 -177.849 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.77 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.89 -46.06 17.49 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.339 -0.144 . . . . 3.4700000000000002 111.387 -175.941 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 36.4 m 51.56 52.18 15.21 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.465 0.913 . . . . 1.3500000000000001 113.465 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -142.96 24.38 2.26 Favored Glycine 0 C--O 1.227 -0.323 0 C-N-CA 120.198 -1.001 . . . . 1.02 112.581 176.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.755 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 ttm -107.06 -118.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.528 0.204 . . . . 2.0099999999999998 111.443 -174.125 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 919' ' ' MET . 26.2 t0 166.65 -56.87 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.044 0.938 . . . . 1.26 108.853 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 921' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 900' ' ' ILE . 1.3 m -138.04 157.1 47.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.47 -0.786 . . . . 1.26 110.059 177.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.557 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 39.2 m -127.86 144.32 51.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 1.1299999999999999 110.981 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.594 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -137.01 -175.51 4.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.732 -0.84 . . . . 0.68999999999999995 108.732 176.537 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 924' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 903' ' ' THR . 75.2 m -120.75 160.24 23.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.358 -0.238 . . . . 0.89000000000000001 110.358 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.939 ' HE2' ' HB2' ' A' ' 877' ' ' ASN . 1.3 tttp -44.94 -47.29 30.1 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.225 0.824 . . . . 1.1100000000000001 113.225 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 926' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 23.4 Cg_exo -66.92 72.44 0.47 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.314 2.009 . . . . 1.01 112.744 175.35 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.75 155.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 1.3600000000000001 110.062 174.278 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.16 171.13 14.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.204 . . . . 0.92000000000000004 110.877 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -57.93 -46.89 84.33 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.56 0.344 . . . . 0.92000000000000004 111.803 -175.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.61 -41.22 79.87 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.886 -0.326 . . . . 1.8500000000000001 110.802 -177.227 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.08 -45.02 99.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.93000000000000005 110.483 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 847' ' ' LEU . 2.2 tt -67.17 -32.1 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.887 -0.597 . . . . 1.1799999999999999 110.527 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 933' ' ' LYS . . . . . 0.535 ' HB3' ' HE2' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -65.95 -41.19 91.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 1.8999999999999999 109.962 177.488 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -60.97 -45.1 96.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 2.25 110.615 179.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -44.95 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.62 110.978 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.718 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.56 -52.28 66.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.85999999999999999 111.138 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 58.0 m -61.61 -43.55 98.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.988 -0.551 . . . . 0.87 111.359 -178.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -45.14 88.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 1.4199999999999999 110.958 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.753 ' HE2' ' HB2' ' A' ' 898' ' ' PRO . 6.1 m-85 -69.76 -53.14 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 1.5900000000000001 111.322 -176.648 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -56.65 -41.92 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.60999999999999999 111.016 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.01 -48.43 76.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.342 -0.39 . . . . 1.8700000000000001 110.853 178.769 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 942' ' ' ARG . 5.5 ptm180 -65.46 -36.48 84.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 3.1099999999999999 111.587 -173.193 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 26.4 m -77.03 -31.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.514 -0.474 . . . . 0.75 110.429 179.028 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -49.77 60.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.213 -0.449 . . . . 3.5800000000000001 110.764 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.09 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 2.7799999999999998 111.443 -175.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -76.02 -51.62 11.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.874 -0.33 . . . . 1.3400000000000001 110.99 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -65.71 -43.18 89.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 3.5299999999999998 111.188 -176.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.14 72.92 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.159 0.504 . . . . 2.6400000000000001 110.215 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.666 -0.697 . . . . 5.0899999999999999 110.145 178.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 16.5 mttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.619 0.247 . . . . 7.0099999999999998 110.527 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -110.13 70.82 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.104 0.478 . . . . 5.3499999999999996 110.731 -178.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.87 5.46 7.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.009 -0.541 . . . . 5.29 110.317 179.088 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.86 92.4 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.0 -0.545 . . . . 4.7199999999999998 110.492 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.91 125.07 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.071 -0.513 . . . . 4.7400000000000002 110.631 -178.41 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.79 56.89 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.374 -0.83 . . . . 4.8600000000000003 109.385 172.513 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.61 41.5 0.64 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.107 -0.951 . . . . 5.0800000000000001 109.571 173.456 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -85.06 47.78 1.46 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.949 -1.023 . . . . 3.9900000000000002 110.943 -174.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.05 91.77 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.822 -0.626 . . . . 1.8999999999999999 109.551 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 826' ' ' MET . . . . . 0.562 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -101.93 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 1.9299999999999999 110.562 -178.333 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 827' ' ' ILE . . . . . 0.968 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.6 mm -110.01 141.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.015 -0.993 . . . . 0.46999999999999997 109.747 -179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.418 HD21 HG11 ' A' ' 863' ' ' VAL . 1.1 mt -94.74 111.74 23.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.328 -0.397 . . . . 1.3700000000000001 110.806 -179.119 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -97.98 104.21 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.981 -0.748 . . . . 1.0600000000000001 108.981 175.154 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 830' ' ' VAL . . . . . 0.7 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.7 OUTLIER -119.84 89.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.548 -0.751 . . . . 1.0700000000000001 111.347 -172.127 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 836' ' ' ASN . 9.3 t0 -111.88 134.4 53.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.362 -0.535 . . . . 1.3 110.23 -178.425 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 832' ' ' ASP . . . . . 0.628 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -68.85 -29.81 68.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.536 -0.756 . . . . 2.0299999999999998 111.34 -178.901 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.62 122.77 40.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 2.1200000000000001 110.833 -176.371 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -47.72 -40.88 31.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.819 3.013 . . . . 1.1200000000000001 114.083 -175.22 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -47.06 95.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.646 0.26 . . . . 2.2599999999999998 111.662 -175.185 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 836' ' ' ASN . . . . . 0.676 ' HB2' ' OD2' ' A' ' 831' ' ' ASP . 0.0 OUTLIER -82.51 -22.23 35.16 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.537 -0.465 . . . . 1.8300000000000001 110.191 -178.247 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 837' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 837' ' ' ARG . 32.6 ttm180 -59.12 -52.17 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 2.7799999999999998 110.433 176.194 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -32.94 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 2.75 110.902 -179.213 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -38.81 75.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 1.1399999999999999 111.224 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 840' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 829' ' ' VAL . 25.9 tp -70.94 -37.6 72.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.919 -0.582 . . . . 1.4299999999999999 110.083 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.66 71.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.111 175.293 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.79 -45.43 78.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 1.3400000000000001 109.946 175.606 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 843' ' ' GLN . . . . . 0.507 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.1 OUTLIER -57.49 -47.12 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 1.8500000000000001 110.258 176.133 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.968 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.6 tp -62.15 -41.24 98.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.24 110.926 179.391 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.27 -30.55 78.02 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.52000000000000002 112.089 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 -25.28 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.69999999999999996 110.379 177.268 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 847' ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -73.87 -40.66 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 1.5600000000000001 110.216 175.564 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 107.02 13.67 20.94 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.785 -0.643 . . . . 0.62 112.104 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -105.28 156.02 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.611 0.243 . . . . 1.22 110.51 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 850' ' ' GLN . . . . . 0.562 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -63.96 132.01 49.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.3799999999999999 110.784 -177.658 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 101.94 9.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 0.93999999999999995 110.731 -178.572 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 852' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 869' ' ' ILE . 1.2 mptt -89.86 110.97 21.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.171 -0.678 . . . . 1.4399999999999999 109.171 176.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 853' ' ' THR . . . . . 0.414 ' HA ' HG13 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -89.92 126.83 35.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.038 0.447 . . . . 0.62 111.926 -171.075 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -142.66 177.65 8.17 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.767 -0.651 . . . . 0.46999999999999997 110.332 178.017 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 855' ' ' ASN . . . . . 0.628 ' OD1' ' HA ' ' A' ' 832' ' ' ASP . 4.6 t30 -153.69 74.16 0.99 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.117 0.484 . . . . 1.8999999999999999 110.064 -174.776 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 856' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 9.7 t70 160.14 143.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.57 -1.196 . . . . 1.45 108.848 173.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 857' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -65.6 -40.75 96.16 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.372 -0.918 . . . . 0.57999999999999996 112.072 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 858' ' ' VAL . 0.0 OUTLIER -73.43 -31.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.94999999999999996 110.334 178.114 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 859' ' ' ASP . . . . . 0.804 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 36.0 t0 -60.64 -40.79 93.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.402 . . . . 0.83999999999999997 110.425 175.423 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.446 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -63.37 -43.05 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.51000000000000001 110.981 178.771 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -34.86 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.102 -0.499 . . . . 1.8500000000000001 110.848 -178.023 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -42.2 80.05 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.467 0.651 . . . . 1.72 110.045 176.165 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 828' ' ' LEU . 1.8 t -61.66 -32.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 0.89000000000000001 109.581 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 864' ' ' LEU . . . . . 0.983 ' HG ' HD21 ' A' ' 897' ' ' LEU . 1.8 tm? -68.14 -36.09 79.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.644 -0.707 . . . . 1.6599999999999999 111.232 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -41.94 84.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.766 0.317 . . . . 0.81999999999999995 110.864 -176.614 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -31.72 25.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 3.46 111.378 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.52 121.31 28.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.968 0.414 . . . . 1.8600000000000001 110.658 -177.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -78.34 78.58 4.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.053 -0.521 . . . . 3.1200000000000001 111.742 -174.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 869' ' ' ILE . . . . . 0.593 HD11 ' HG2' ' A' ' 852' ' ' LYS . 0.2 OUTLIER -71.91 147.41 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.882 -0.599 . . . . 1.0600000000000001 109.761 175.571 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.71 -60.36 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 1.6399999999999999 111.317 -174.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.723 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.2 mm -115.06 143.55 24.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.883 -0.414 . . . . 1.03 109.883 -179.076 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.17 127.4 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.741 -0.384 . . . . 0.67000000000000004 111.268 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.65 99.35 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.514 -0.55 . . . . 0.87 109.514 173.085 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.6 p -97.75 103.92 15.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.08 0.467 . . . . 0.72999999999999998 110.016 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 875' ' ' ASP . . . . . 0.43 ' CG ' ' HB ' ' A' ' 902' ' ' VAL . 30.5 t0 -90.78 114.24 26.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.427 -0.806 . . . . 1.3400000000000001 110.187 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 876' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 886' ' ' LEU . 7.0 t -104.54 106.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.571 -0.74 . . . . 1.29 110.561 -177.191 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 904' ' ' ALA . 1.4 t30 -79.47 -15.9 56.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.913 -0.773 . . . . 2.5499999999999998 108.913 177.643 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 34.7 ttm -76.36 106.43 3.26 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.263 -1.335 . . . . 3.6600000000000001 109.897 178.236 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 879' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 880' ' ' ASN . 73.0 Cg_endo -81.9 -87.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.586 2.191 . . . . 3.48 113.248 -172.591 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 880' ' ' ASN . . . . . 0.403 ' H ' ' HG2' ' A' ' 879' ' ' PRO . 46.4 t30 -79.77 59.8 3.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 4.8700000000000001 110.749 -176.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.79 67.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.163 -0.471 . . . . 5.5800000000000001 111.366 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.97 39.94 19.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.864 -0.607 . . . . 4.9900000000000002 112.209 172.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -71.34 -3.05 51.99 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.27 -0.49 . . . . 3.04 113.118 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 884' ' ' TYR . . . . . 0.978 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 24.0 p90 -107.49 -27.55 10.34 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.867 1.318 . . . . 2.8399999999999999 109.908 178.174 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 885' ' ' ARG . . . . . 0.619 ' HD2' ' O ' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.38 -25.02 65.56 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.862 -1.517 . . . . 3.3599999999999999 111.049 -163.242 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.4 OUTLIER -68.39 -34.95 76.94 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.052 0.93 . . . . 2.3399999999999999 108.768 -170.874 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 887' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.1 m -73.8 -26.93 60.87 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.911 -1.495 . . . . 1.28 109.702 178.312 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -59.46 -46.54 88.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.678 -0.692 . . . . 2.1699999999999999 110.054 175.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.515 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -62.24 -35.21 78.23 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.046 -0.525 . . . . 2.3599999999999999 110.615 176.485 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 890' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 887' ' ' THR . 89.2 mt -62.43 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.71 110.781 177.284 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -67.79 -38.98 84.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 2.2400000000000002 110.64 179.11 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 892' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 1.5 tp60 -59.39 -46.11 89.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 2.6200000000000001 110.719 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.614 -0.721 . . . . 1.9099999999999999 111.423 -177.523 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 101.24 81.16 1.56 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.607 -0.806 . . . . 1.1200000000000001 111.136 -176.083 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 895' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -82.27 160.82 22.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.694 0.759 . . . . 2.8900000000000001 112.651 -172.345 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 1.2 m -128.7 -4.74 5.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.248 -1.342 . . . . 2.4900000000000002 107.849 172.585 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.983 HD21 ' HG ' ' A' ' 864' ' ' LEU . 0.9 OUTLIER -80.07 147.93 66.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 113.726 -1.579 . . . . 1.3999999999999999 112.894 -167.225 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.534 ' HG2' HD13 ' A' ' 871' ' ' ILE . 3.0 Cg_endo -87.97 98.31 0.42 Allowed 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.285 2.656 . . . . 0.72999999999999998 109.471 162.545 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 899' ' ' VAL . . . . . 0.796 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.1 t -99.32 115.56 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.371 0.605 . . . . 0.64000000000000001 111.755 -172.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.77 HD12 HD23 ' A' ' 873' ' ' LEU . 0.1 OUTLIER -101.32 104.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.332 -0.849 . . . . 0.64000000000000001 109.406 174.184 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 901' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 922' ' ' CYS . . . -96.42 117.56 5.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.735 -0.745 . . . . 0.47999999999999998 112.393 -177.574 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 902' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 923' ' ' LEU . 4.1 t -87.29 137.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.431 -0.581 . . . . 1.04 109.431 177.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 15.8 p -120.29 132.74 55.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.89000000000000001 111.238 -176.048 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.664 ' HB2' ' HD3' ' A' ' 925' ' ' LYS . . . -108.53 102.48 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.1899999999999999 110.636 175.338 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 48.29 15.8 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.514 -0.766 . . . . 2.7000000000000002 111.78 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 906' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 909' ' ' GLU . . . -81.49 -20.84 39.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.566 -0.288 . . . . 2.8100000000000001 111.181 -178.33 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.55 112.76 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.33 0.652 . . . . 3.9300000000000002 112.336 177.468 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 55.54 48.9 17.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.157 -0.929 . . . . 2.0899999999999999 110.84 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.503 ' CG ' ' HB3' ' A' ' 906' ' ' ALA . 1.4 mp0 -64.9 -17.43 64.31 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.146 -0.934 . . . . 3.3100000000000001 110.32 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 910' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 913' ' ' ARG . 5.2 mt-10 -62.91 -37.91 88.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.351 -0.386 . . . . 3.5800000000000001 110.157 174.788 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -41.31 60.98 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.302 -0.408 . . . . 2.29 110.545 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 912' ' ' GLN . . . . . 0.978 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -63.52 -27.46 69.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.291 0.567 . . . . 2.6499999999999999 109.581 175.719 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 913' ' ' ARG . . . . . 0.724 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -64.62 -48.99 72.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.374 -0.83 . . . . 4.0499999999999998 111.275 178.38 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -27.52 66.05 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.455 -0.572 . . . . 1.6499999999999999 109.455 175.458 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 915' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -68.48 -51.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.136 -0.938 . . . . 1.8799999999999999 111.552 179.121 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 916' ' ' GLU . . . . . 0.724 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -79.59 -44.85 20.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.184 -1.006 . . . . 3.4700000000000002 111.199 -176.183 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 13.3 m 49.17 49.44 19.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.73 1.011 . . . . 1.3500000000000001 113.73 178.222 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.08 24.95 1.59 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.32 -0.943 . . . . 1.02 112.679 174.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 919' ' ' MET . . . . . 0.796 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -103.38 -114.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.126 0.489 . . . . 2.0099999999999998 111.217 -171.365 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' A' ' 919' ' ' MET . 7.8 t70 174.01 -51.66 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.462 -0.94 . . . . 1.26 108.462 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.2 m -162.59 152.97 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.471 -0.786 . . . . 1.26 110.432 177.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 922' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 3.3 m -108.97 151.41 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.439 -0.346 . . . . 1.1299999999999999 110.767 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 923' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 902' ' ' VAL . 67.9 mt -125.62 167.58 14.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.68999999999999995 111.101 -178.758 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.92 146.44 24.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.89000000000000001 110.073 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.664 ' HD3' ' HB2' ' A' ' 904' ' ' ALA . 1.5 tptt -47.87 -44.6 59.03 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.926 1.084 . . . . 1.1100000000000001 113.926 -177.685 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.28 59.04 1.86 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.108 1.872 . . . . 1.01 112.956 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.92 112.33 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 1.3600000000000001 110.304 175.477 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.75 160.72 15.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.92000000000000004 110.52 178.619 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.507 HD23 ' HG2' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -53.14 -45.47 68.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.921 0.391 . . . . 0.92000000000000004 111.112 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.41 -40.05 70.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.945 -0.302 . . . . 1.8500000000000001 111.222 -177.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -35.12 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.944 -0.302 . . . . 0.93000000000000005 110.817 -177.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 929' ' ' LEU . 0.9 OUTLIER -71.25 -30.58 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 120.99 -0.284 . . . . 1.1799999999999999 110.288 175.088 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -41.73 84.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.332 . . . . 1.8999999999999999 110.501 178.077 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.76 -49.07 79.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 2.25 110.361 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -66.87 -37.67 84.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.321 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.9 -54.56 43.52 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.48 -0.327 . . . . 0.85999999999999999 110.279 178.297 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 10.1 m -57.22 -42.86 82.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.729 -0.669 . . . . 0.87 110.822 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 938' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -55.93 -52.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.414 0.626 . . . . 1.4199999999999999 111.008 179.377 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 939' ' ' TYR . . . . . 0.606 ' HB3' HD12 ' A' ' 871' ' ' ILE . 4.4 m-85 -74.19 -32.02 62.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.126 -0.488 . . . . 1.5900000000000001 111.094 -175.566 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 940' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.69 -41.89 98.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 0.60999999999999999 110.267 177.18 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 938' ' ' LEU . 2.8 pt-20 -64.18 -36.15 83.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.312 -0.404 . . . . 1.8700000000000001 110.51 178.082 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 942' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 56.1 mtt180 -66.95 -48.34 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.371 . . . . 3.1099999999999999 110.855 -178.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 943' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 18.6 m -72.03 -31.17 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.456 -0.338 . . . . 0.75 111.068 -178.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 944' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -70.58 -46.28 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.229 -0.188 . . . . 3.5800000000000001 110.842 179.333 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.403 ' HA ' ' OG ' ' A' ' 949' ' ' SER . 0.0 OUTLIER -71.11 -24.34 62.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 2.7799999999999998 111.251 -177.864 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 15.3 m -86.21 -21.78 27.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.671 0.272 . . . . 1.3400000000000001 111.374 177.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 947' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -93.78 -62.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 3.5299999999999998 111.332 -176.924 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -126.74 58.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.306 0.574 . . . . 2.6400000000000001 110.939 -171.378 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 949' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 945' ' ' LYS . 19.5 m . . . . . 0 C--O 1.247 0.958 0 N-CA-C 109.104 -0.702 . . . . 5.0899999999999999 109.104 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.24 0.543 . . . . 1.9 111.425 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.696 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 11.9 ttm -88.1 108.33 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.777 -0.647 . . . . 1.93 109.948 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.902 ' HB ' HD21 ' A' ' 844' ' ' LEU . 4.5 mm -107.12 143.65 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.157 0.503 . . . . 0.47 111.2 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 872' ' ' VAL . 60.9 tp -101.6 116.87 33.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 1.37 110.575 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -107.8 108.5 25.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.735 0.779 . . . . 1.06 109.929 179.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.3 t -116.57 137.1 51.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.336 -0.847 . . . . 1.07 109.594 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.415 ' CG ' ' HB3' ' A' ' 836' ' ' ASN . 3.6 t70 -148.24 147.48 29.42 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.657 -0.417 . . . . 1.3 110.902 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -94.73 -3.55 49.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 2.03 110.473 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 5.5 m170 -117.4 125.49 28.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.814 -0.63 . . . . 2.12 110.261 176.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 31.3 Cg_exo -59.6 -39.21 76.75 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.518 2.145 . . . . 1.12 112.87 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.72 -39.74 76.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.015 0.436 . . . . 2.26 110.055 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 831' ' ' ASP . 2.2 t30 -71.02 -41.01 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 1.83 109.948 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 837' ' ' ARG . 3.9 ttm-85 -56.6 -47.63 79.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 2.78 110.878 177.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.507 ' C ' ' HD3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -54.89 -50.87 67.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.772 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.97 65.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.429 -0.805 . . . . 1.14 111.299 -172.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 829' ' ' VAL . 59.4 tp -67.15 -43.03 83.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 1.43 110.211 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.26 -35.19 73.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.6 110.807 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.14 -47.34 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 1.34 110.115 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.818 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.47 -43.49 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 1.85 110.477 179.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.902 HD21 ' HB ' ' A' ' 827' ' ' ILE . 10.7 tp -63.54 -37.73 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.749 -0.66 . . . . 1.24 111.133 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.07 -40.55 99.37 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.987 -0.625 . . . . 0.52 112.419 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 25.0 m -76.69 -19.52 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.82 0.343 . . . . 0.7 110.979 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.1 OUTLIER -69.2 -34.77 75.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.461 0.648 . . . . 1.56 109.438 171.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 100.9 22.55 10.75 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.266 -0.879 . . . . 0.62 112.101 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -110.36 151.48 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.544 0.211 . . . . 1.22 110.528 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -61.33 124.79 21.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 2.38 110.342 176.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 106.3 16.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.267 -0.424 . . . . 0.94 110.932 -177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.13 110.27 22.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.365 -0.606 . . . . 1.44 109.365 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.03 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.004 0.43 . . . . 0.62 111.742 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.593 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -141.83 168.58 19.42 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.971 -0.558 . . . . 0.47 110.72 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.2 t30 -144.3 72.45 1.34 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.704 -0.226 . . . . 1.9 110.883 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.677 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.8 t0 161.03 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.228 0.955 . . . . 1.45 109.828 171.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.43 78.46 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.219 -0.991 . . . . 0.58 110.882 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.518 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -68.78 -30.64 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.95 110.753 178.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 17.8 t0 -63.52 -32.27 73.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.84 110.868 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -57.92 -53.68 55.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.51 111.19 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.621 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -73.79 -27.68 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 1.85 110.944 -178.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.06 -48.35 79.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.435 0.636 . . . . 1.72 109.47 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 828' ' ' LEU . 2.2 t -64.03 -35.15 72.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.203 -0.908 . . . . 0.89 110.249 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.88 -31.73 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.66 111.182 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 14.6 m -78.2 -27.06 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.25 -0.432 . . . . 0.82 110.72 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 4.7 mmmt -84.21 -37.01 22.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 3.46 111.176 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 157.1 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.299 -0.41 . . . . 1.86 110.194 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 137.73 34.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.988 0.423 . . . . 3.12 111.266 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.563 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -134.21 153.99 36.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.33 -0.396 . . . . 1.06 110.417 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . 0.709 ' HA ' HH21 ' A' ' 947' ' ' ARG . 8.2 t0 -95.18 -57.19 2.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 1.64 110.957 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.8 mm -113.45 130.37 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.084 -0.507 . . . . 1.03 110.65 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.687 HG13 HD23 ' A' ' 828' ' ' LEU . 38.9 t -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.12 -0.232 . . . . 0.67 110.724 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -123.32 99.87 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.963 -0.384 . . . . 0.87 109.963 173.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.713 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 11.3 p -111.29 110.44 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.014 -0.275 . . . . 0.73 110.383 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 18.4 t0 -95.91 117.78 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.181 0.515 . . . . 1.34 111.058 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 1.29 110.28 179.758 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.883 ' HB2' ' HG3' ' A' ' 912' ' ' GLN . 9.2 t80 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 122.251 1.024 . . . . 2.84 109.223 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.536 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.8 tmm_? -63.44 -29.32 70.62 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.946 -1.025 . . . . 3.36 111.428 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -22.3 66.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.304 1.05 . . . . 2.34 109.547 -173.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -85.23 -28.32 25.47 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.724 -1.58 . . . . 1.28 107.707 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.572 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -62.96 -47.97 80.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 2.17 110.002 169.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.41 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -63.2 -33.92 76.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.291 -0.413 . . . . 2.36 111.38 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.838 HG21 HG21 ' A' ' 899' ' ' VAL . 2.0 mt -67.37 -42.88 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.499 -0.319 . . . . 1.71 110.582 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.593 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.86 -23.51 62.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.124 0.487 . . . . 2.24 110.526 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -72.97 -38.25 66.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.047 -0.524 . . . . 2.62 110.155 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -31.92 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 1.91 110.174 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 103.99 84.68 1.8 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.925 -0.655 . . . . 1.12 111.623 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -75.2 121.99 22.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.401 0.619 . . . . 2.89 111.108 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.56 24.16 11.51 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.5 -0.773 . . . . 2.49 109.136 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.32 155.4 31.72 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 114.592 -1.185 . . . . 1.4 109.258 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 126.05 11.28 Favored 'Trans proline' 0 C--O 1.242 0.724 0 C-N-CA 122.441 2.094 . . . . 0.73 113.424 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.838 HG21 HG21 ' A' ' 890' ' ' ILE . 21.9 t -101.54 105.64 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 121.371 0.605 . . . . 0.64 110.099 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 873' ' ' LEU . 5.5 mt -92.84 108.28 20.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.328 0.585 . . . . 0.64 109.952 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.35 99.68 2.58 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.477 -0.783 . . . . 0.48 112.055 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.2 OUTLIER -76.77 127.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 108.383 -0.969 . . . . 1.04 108.383 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.82 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 2.4 p -140.39 155.36 46.78 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.632 -0.427 . . . . 0.89 111.801 -169.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.4 104.53 4.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 1.19 111.229 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 55.47 55.8 6.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.708 -0.678 . . . . 2.7 112.326 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.87 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -98.55 42.32 1.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.967 0.413 . . . . 2.81 110.152 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.89 -71.04 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.171 -0.922 . . . . 3.93 110.815 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -143.66 78.22 1.58 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.211 -0.663 . . . . 2.09 109.211 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.87 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 13.5 mp0 -58.15 -45.84 86.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.669 -0.696 . . . . 3.31 111.619 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.24 -39.61 75.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 3.58 110.562 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -65.4 -35.02 79.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.818 -0.628 . . . . 2.29 110.706 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 884' ' ' TYR . 0.7 OUTLIER -68.57 -39.11 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.276 0.56 . . . . 2.65 109.75 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.504 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 5.2 ttt180 -62.26 -39.74 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.409 -0.814 . . . . 4.05 110.46 177.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.33 -38.64 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 1.65 111.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.19 -52.24 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.098 0.475 . . . . 1.88 111.326 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.835 ' HB2' HG22 ' A' ' 887' ' ' THR . 4.3 mm-40 -78.2 -22.17 48.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.663 -0.699 . . . . 3.47 110.872 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . 0.462 ' HB2' HH11 ' A' ' 891' ' ' ARG . 1.5 m 52.43 51.87 15.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.961 1.097 . . . . 1.35 113.961 171.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.69 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.02 27.07 1.43 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.409 -0.901 . . . . 1.02 113.487 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.745 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.3 ttm -106.98 -119.95 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.336 0.568 . . . . 2.01 111.21 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 919' ' ' MET . 17.3 t70 171.03 -52.14 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 123.861 0.865 . . . . 1.26 108.857 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.17 170.14 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.515 -0.766 . . . . 1.26 110.369 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.504 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 70.1 m -131.58 135.53 47.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.642 -0.254 . . . . 1.13 110.501 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.746 ' HB2' HG13 ' A' ' 902' ' ' VAL . 62.2 mt -124.94 -175.27 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.574 -0.284 . . . . 0.69 110.587 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.95 153.53 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.89 110.042 178.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.2 tptp -49.89 -48.17 78.56 Favored Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 113.788 1.033 . . . . 1.11 113.788 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 11.9 Cg_exo -72.78 65.91 3.95 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.067 1.845 . . . . 1.01 113.599 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.4 99.43 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 1.36 110.303 173.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.8 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.311 -0.404 . . . . 0.92 111.384 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -58.44 -46.31 86.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.737 0.303 . . . . 0.92 111.133 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.23 -46.42 73.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.35 -0.386 . . . . 1.85 110.719 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.14 -44.86 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.973 -0.558 . . . . 0.93 110.338 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.699 HG23 HD23 ' A' ' 936' ' ' LEU . 0.5 OUTLIER -61.68 -38.95 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 1.18 110.551 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.45 76.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.204 -0.453 . . . . 1.9 112.015 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -69.2 -38.22 78.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 2.25 110.854 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.1 m -65.8 -44.53 85.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.238 . . . . 0.62 111.01 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.699 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.62 -41.28 92.88 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.436 -0.347 . . . . 0.86 110.792 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 80.7 m -65.94 -47.29 75.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.317 -0.402 . . . . 0.87 111.015 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.157 0.503 . . . . 1.42 110.884 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.443 ' O ' HG22 ' A' ' 943' ' ' VAL . 4.0 m-85 -76.68 -25.55 53.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.143 -0.481 . . . . 1.59 111.724 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.04 93.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.278 0.561 . . . . 0.61 110.322 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.07 -34.87 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.643 . . . . 1.87 109.926 176.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -67.15 -48.45 68.0 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.152 -0.476 . . . . 3.11 110.638 -178.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 939' ' ' TYR . 17.1 m -66.98 -29.33 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.75 110.423 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.37 -34.59 76.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.487 -0.324 . . . . 3.58 110.193 174.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -34.94 33.19 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.92 0.39 . . . . 2.78 110.953 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 3.8 m -75.6 -25.9 57.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.38 0.511 . . . . 1.34 112.38 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.709 HH21 ' HA ' ' A' ' 870' ' ' ASP . 74.1 mtt-85 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 3.53 111.305 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.911 -0.403 . . . . 1.9 109.911 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.416 ' O ' HG23 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -98.62 113.31 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.035 0.445 . . . . 1.93 110.147 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.795 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -110.7 137.82 41.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.469 -0.787 . . . . 0.47 109.751 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.5 OUTLIER -94.79 118.45 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.388 -0.369 . . . . 1.37 110.773 -177.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.0 m -101.72 94.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.169 -0.678 . . . . 1.06 109.169 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.835 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -110.24 84.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 1.07 110.511 -174.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -106.27 154.97 19.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.508 -0.314 . . . . 1.3 111.105 -171.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . 0.469 ' HA ' ' ND2' ' A' ' 855' ' ' ASN . 2.1 p-10 -93.28 -18.24 22.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.853 0.686 . . . . 2.03 112.853 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 32.4 m-70 -127.18 107.96 21.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.275 -0.266 . . . . 2.12 110.532 -177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.8 Cg_endo -40.31 -39.07 2.52 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 124.879 3.719 . . . . 1.12 115.375 -167.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -33.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 120.939 0.4 . . . . 2.26 111.432 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -83.55 -22.56 32.35 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.874 -0.33 . . . . 1.83 110.56 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.411 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 4.1 ttm180 -61.42 -50.53 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 2.78 110.017 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -32.02 71.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 2.75 111.352 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -39.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.14 111.232 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 932' ' ' ILE . 54.1 tp -66.59 -41.13 88.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 1.43 109.813 177.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.76 62.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.608 . . . . 0.6 110.921 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -68.47 -48.76 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 1.34 110.271 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.812 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.5 OUTLIER -64.32 -35.15 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 1.85 110.096 177.325 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.795 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.2 tp -63.25 -43.42 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 1.24 110.487 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.61 -27.82 73.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 111.855 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.1 m -68.44 -28.38 67.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.7 110.075 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -81.75 -15.56 53.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.713 -0.676 . . . . 1.56 110.469 175.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.89 70.14 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.851 -0.613 . . . . 0.62 111.819 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . 0.496 ' HD2' HD11 ' A' ' 827' ' ' ILE . 3.7 m-85 -99.58 143.43 29.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 1.22 110.664 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.07 132.82 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 2.38 111.284 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.618 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -115.76 107.96 15.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 0.94 111.192 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -93.39 119.21 32.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.105 -0.702 . . . . 1.44 109.105 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.595 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -91.12 136.22 33.23 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.771 0.656 . . . . 0.62 112.771 -168.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.835 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.3 175.48 13.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.832 -0.622 . . . . 0.47 109.806 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.676 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.1 t-20 -147.23 74.65 1.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.665 -0.414 . . . . 1.9 111.691 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.676 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.1 t70 160.58 164.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.344 1.058 . . . . 1.45 109.798 166.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.674 ' HA3' ' HB3' ' A' ' 886' ' ' LEU . . . -74.02 -42.72 36.1 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.411 -0.899 . . . . 0.58 110.916 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.451 HG22 ' OD1' ' A' ' 856' ' ' ASP . 29.7 m -72.64 -29.13 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.082 0.468 . . . . 0.95 110.341 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 32.1 t0 -62.68 -40.74 98.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.913 -0.585 . . . . 0.84 109.678 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.697 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -65.26 -33.94 77.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 0.51 110.354 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -62.76 -43.28 99.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 1.85 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -69.26 -49.8 52.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.72 111.066 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 860' ' ' ALA . 8.2 p -64.22 -32.47 57.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.525 -0.307 . . . . 0.89 110.759 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 2.4 mt -66.0 -32.35 73.79 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.296 0.57 . . . . 1.66 110.426 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 48.7 m -76.3 -21.81 55.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.826 -0.625 . . . . 0.82 110.602 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -36.61 20.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 3.46 110.682 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 137.44 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.727 -0.842 . . . . 1.86 108.727 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.41 84.2 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.023 0.44 . . . . 3.12 111.883 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -61.01 139.54 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.753 . . . . 1.06 109.409 170.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 0.2 OUTLIER -87.63 -30.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -170.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 9.0 mt -134.19 129.98 54.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.107 -0.331 . . . . 1.03 110.107 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 37.0 t -112.88 131.75 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.923 -0.311 . . . . 0.67 111.541 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.665 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -117.92 99.64 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.87 110.112 174.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 p -90.04 103.08 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.931 0.396 . . . . 0.73 110.264 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.694 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 60.9 t0 -93.72 118.08 30.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.753 -0.658 . . . . 1.34 110.435 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 1.29 111.338 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.729 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.7 p90 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.867 0.841 . . . . 2.84 110.602 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.663 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.63 -27.13 62.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.459 -0.792 . . . . 3.36 111.475 -168.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.674 ' HB3' ' HA3' ' A' ' 857' ' ' GLY . 0.1 OUTLIER -73.25 -27.57 61.66 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.16 -1.052 . . . . 2.34 108.16 -170.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 11.4 m -78.0 -28.26 49.21 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 113.68 -1.6 . . . . 1.28 109.906 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 37.6 tt0 -61.68 -41.4 97.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.679 -0.691 . . . . 2.17 109.753 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -37.52 80.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 2.36 110.648 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.424 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.4 OUTLIER -64.3 -35.24 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.795 0.331 . . . . 1.71 110.747 178.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -69.16 -39.09 79.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 2.24 110.057 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.14 -37.6 87.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.38 0.609 . . . . 2.62 109.99 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.22 -23.84 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.384 -0.825 . . . . 1.91 111.254 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.47 73.96 1.26 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.905 -0.664 . . . . 1.12 111.885 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -69.14 133.83 48.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 2.89 111.209 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.8 27.42 8.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.953 -0.567 . . . . 2.49 110.092 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 870' ' ' ASP . 0.7 OUTLIER -153.86 153.25 28.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 1.4 109.648 -177.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 16.5 Cg_exo -67.94 133.88 30.44 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 122.799 2.332 . . . . 0.73 112.836 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 42.7 t -110.07 125.15 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.64 110.491 177.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 873' ' ' LEU . 3.8 mt -112.38 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.013 -0.54 . . . . 0.64 110.015 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.35 124.24 7.39 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.648 -0.787 . . . . 0.48 112.105 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.0 t -97.03 96.41 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' A' ' 924' ' ' SER . 2.5 p -116.97 171.78 7.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.087 0.47 . . . . 0.89 111.611 -172.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -144.33 102.53 3.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 1.19 110.434 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 48.01 65.17 1.37 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.029 0.831 . . . . 2.7 112.115 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -83.66 49.24 1.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.123 -0.489 . . . . 2.81 110.577 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.1 -74.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.447 -0.797 . . . . 3.93 111.012 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.42 75.7 1.47 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.407 -0.59 . . . . 2.09 109.407 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.46 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.42 -25.86 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 3.31 111.59 -174.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.68 -44.65 96.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.239 0.542 . . . . 3.58 110.153 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.11 75.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.633 -0.712 . . . . 2.29 110.525 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.729 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.6 OUTLIER -74.0 -28.72 61.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.791 -0.364 . . . . 2.65 110.744 -177.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.75 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.84 -36.43 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.28 0.562 . . . . 4.05 110.078 174.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 13.5 m -73.69 -26.43 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.938 -0.573 . . . . 1.65 110.327 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -71.64 -51.74 21.56 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.796 -0.638 . . . . 1.88 112.02 -177.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.75 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -77.57 -42.51 34.98 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.216 -0.594 . . . . 3.47 110.648 179.138 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.67 49.99 19.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.79 0.663 . . . . 1.35 112.79 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.26 10.98 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.002 -1.094 . . . . 1.02 112.529 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.878 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.4 ttm -87.65 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.259 . . . . 2.01 111.092 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' A' ' 919' ' ' MET . 25.8 t0 165.74 -52.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.154 0.982 . . . . 1.26 109.109 173.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 157.62 46.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 1.26 110.853 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.32 142.0 48.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.352 -0.385 . . . . 1.13 110.445 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 935' ' ' THR . 0.0 OUTLIER -135.3 -175.36 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.69 109.938 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.7 m -105.79 149.63 26.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.432 -0.349 . . . . 0.89 110.112 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.528 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 2.1 tptt -44.04 -53.02 14.21 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 113.318 0.859 . . . . 1.11 113.318 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 72.1 Cg_endo -77.53 65.35 8.07 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.563 1.509 . . . . 1.01 112.499 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.32 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 1.36 110.439 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 170.28 14.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 0.92 110.774 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.8 OUTLIER -58.61 -46.29 87.35 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.791 0.293 . . . . 0.92 111.791 -175.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.45 -44.23 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.815 0.341 . . . . 1.85 110.665 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.16 -47.26 90.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.93 110.75 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.1 tt -64.37 -32.8 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.18 110.996 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.77 -35.31 78.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.739 0.304 . . . . 1.9 110.608 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.52 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.1 OUTLIER -63.68 -54.78 30.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 2.25 110.439 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . 0.419 HG21 HD21 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -64.77 -41.31 95.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.62 111.056 -179.502 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.767 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.09 -57.51 12.53 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.86 111.062 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 21.5 m -62.75 -41.94 99.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.24 -0.436 . . . . 0.87 111.398 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -63.23 -42.07 99.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 1.42 111.436 -178.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 943' ' ' VAL . 3.1 m-30 -84.85 -25.9 27.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.933 -0.307 . . . . 1.59 111.54 -175.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -65.23 -40.33 93.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 0.61 109.903 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.11 71.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.924 -0.58 . . . . 1.87 109.694 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -48.51 80.54 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 3.11 111.047 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 17.6 m -75.49 -34.7 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.632 -0.258 . . . . 0.75 110.972 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -65.15 -45.12 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 3.58 111.304 -178.181 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -29.76 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 2.78 111.853 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 35.9 m -75.4 -38.71 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.547 -0.461 . . . . 1.34 110.417 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 5.3 ttt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 3.53 109.865 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . 0.432 ' HE1' ' HA ' ' A' ' 940' ' ' ALA . 1.3 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.805 0.336 . . . . 1.9 110.285 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.31 113.09 25.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 1.93 110.593 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 38.5 mm -104.89 132.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.665 -0.698 . . . . 0.47 110.223 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.869 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.9 tp -96.61 104.52 16.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.931 0.396 . . . . 1.37 110.374 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 15.5 m -93.4 100.23 10.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.63 0.729 . . . . 1.06 110.399 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.5 t -112.38 125.93 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.629 . . . . 1.07 110.153 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.576 ' HB3' ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -148.03 142.84 26.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 117.967 0.349 . . . . 1.3 111.216 175.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -78.04 -14.06 59.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.815 0.672 . . . . 2.03 112.815 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -119.35 83.49 26.18 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.992 -0.373 . . . . 2.12 109.992 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -35.03 -39.76 0.22 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 125.167 3.911 . . . . 1.12 116.396 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.7 OUTLIER -57.81 -31.41 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 121.086 0.47 . . . . 2.26 111.397 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -73.77 -41.62 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.959 -0.564 . . . . 1.83 110.267 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 1.014 ' HA ' ' HE ' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -64.45 -33.68 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.922 -0.311 . . . . 2.78 111.138 176.202 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.594 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.29 -50.7 72.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.519 0.676 . . . . 2.75 109.851 173.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.594 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.61 -40.23 76.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.155 -0.929 . . . . 1.14 110.964 -173.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -67.57 -30.32 69.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.974 -0.557 . . . . 1.43 110.731 178.077 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -72.14 -24.76 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.6 110.287 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -47.13 71.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.369 -0.604 . . . . 1.34 109.369 173.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.03 95.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.517 -0.765 . . . . 1.85 110.459 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -60.53 -37.03 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.24 110.472 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.44 -31.11 79.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.452 -0.794 . . . . 0.52 112.308 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -16.54 56.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.7 110.481 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -41.39 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.56 110.121 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.96 35.6 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.62 112.315 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -123.77 152.98 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 1.22 110.254 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.44 126.55 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 2.38 109.958 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 111.76 22.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.83 0.348 . . . . 0.94 111.085 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.54 120.21 38.59 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.342 -0.614 . . . . 1.44 109.342 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.513 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -88.61 140.04 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.62 112.066 -170.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -157.16 171.06 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.675 -0.693 . . . . 0.47 109.407 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.5 OUTLIER -154.8 73.09 0.87 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.089 -0.645 . . . . 1.9 112.315 -175.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.676 ' OD2' HG22 ' A' ' 858' ' ' VAL . 14.0 t70 162.91 156.76 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.227 0.954 . . . . 1.45 109.657 172.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -62.74 -52.55 47.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.966 -0.635 . . . . 0.58 112.118 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.676 HG22 ' OD2' ' A' ' 856' ' ' ASP . 1.5 m -74.06 -29.67 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 122.759 -0.26 . . . . 0.95 111.018 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.641 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 25.8 t0 -57.53 -33.29 67.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.429 -0.351 . . . . 0.84 110.509 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -62.05 -38.4 88.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.51 110.676 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -72.88 -33.38 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 1.85 110.194 177.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.69 -50.59 68.62 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.505 -0.771 . . . . 1.72 110.534 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 828' ' ' LEU . 4.3 p -68.65 -32.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.89 110.219 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' A' ' 895' ' ' LEU . 0.3 OUTLIER -58.95 -38.93 80.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.098 0.475 . . . . 1.66 110.659 175.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 17.9 m -65.58 -37.6 87.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.82 110.604 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -73.82 -41.52 62.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 3.46 111.417 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.99 118.73 8.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 1.86 110.235 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 144.92 53.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.136 0.494 . . . . 3.12 110.66 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.869 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -132.63 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.311 -0.626 . . . . 1.06 109.311 -179.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.39 -60.69 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.462 . . . . 1.64 111.103 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 13.7 mt -121.0 132.12 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.674 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.2 138.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.67 110.025 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 106.89 9.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.985 -0.376 . . . . 0.87 109.985 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.0 p -91.68 99.61 12.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.73 110.597 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.52 ' HB2' ' NH1' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.272 -0.876 . . . . 1.34 109.946 179.244 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . 0.47 HG23 HG22 ' A' ' 903' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 1.29 112.023 -175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.68 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.912 0 N-CA-C 114.482 1.29 . . . . 2.84 114.482 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.659 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.1 -25.46 68.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.204 -1.362 . . . . 3.36 112.505 -167.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.483 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.3 OUTLIER -65.74 -29.85 70.42 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.303 -0.999 . . . . 2.34 108.303 -176.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -69.93 -41.15 75.0 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.596 -1.183 . . . . 1.28 108.517 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.6 tp-100 -57.07 -45.09 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.866 -1.061 . . . . 2.17 110.725 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.484 ' HG2' HD23 ' A' ' 861' ' ' LEU . 0.2 OUTLIER -57.73 -37.34 73.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 2.36 110.888 -179.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.693 HG13 HD21 ' A' ' 861' ' ' LEU . 6.2 mt -57.57 -47.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 1.71 110.538 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.04 68.99 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.258 -0.428 . . . . 2.24 111.277 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 59.5 mt-30 -74.88 -37.36 62.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.088 0.47 . . . . 2.62 110.82 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 861' ' ' LEU . 6.6 tp -76.41 -4.37 42.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 1.91 110.711 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 1.12 113.406 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.624 HD21 ' HG ' ' A' ' 864' ' ' LEU . 4.0 mp -90.44 110.44 21.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.991 0.424 . . . . 2.89 109.944 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 7.5 t -99.86 -3.8 31.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.499 0.666 . . . . 2.49 109.66 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.75 151.46 84.65 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.233 -0.894 . . . . 1.4 109.661 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.1 119.6 6.95 Favored 'Trans proline' 0 C--O 1.241 0.65 0 C-N-CA 123.037 2.491 . . . . 0.73 113.328 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.7 t -106.04 109.12 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.356 0.598 . . . . 0.64 110.281 175.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 40.8 mt -84.57 113.74 23.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.817 -0.629 . . . . 0.64 110.262 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . 0.429 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -89.05 91.74 1.75 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.69 -0.767 . . . . 0.48 112.217 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.631 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.0 OUTLIER -83.61 98.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.102 -0.703 . . . . 1.04 109.102 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.47 HG22 HG23 ' A' ' 876' ' ' VAL . 52.0 p -121.5 -174.75 2.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.579 0.704 . . . . 0.89 112.392 -168.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -138.66 160.09 40.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.822 -1.081 . . . . 1.19 108.234 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.32 100.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 2.7 111.83 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -134.81 86.23 2.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 2.81 109.156 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 907' ' ' LEU . 0.1 OUTLIER 70.55 -86.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 3.93 110.086 -176.278 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.445 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -166.77 71.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 2.09 110.254 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 3.31 111.367 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.21 -40.64 90.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.992 0.425 . . . . 3.58 110.355 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.02 -38.94 86.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 2.29 110.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 884' ' ' TYR . 1.8 mp0 -69.86 -32.02 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.229 0.537 . . . . 2.65 109.926 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.735 ' HG3' ' HB2' ' A' ' 919' ' ' MET . 14.1 ttp85 -64.12 -31.31 72.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.429 -0.805 . . . . 4.05 110.131 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.56 -43.99 36.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 1.65 110.945 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -52.66 20.92 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 111.873 0.323 . . . . 1.88 111.873 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.68 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 13.1 mm-40 -78.38 -23.11 46.97 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.647 0.379 . . . . 3.47 111.561 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.52 54.41 10.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.443 1.275 . . . . 1.35 114.443 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -132.58 26.75 3.62 Favored Glycine 0 C--O 1.222 -0.611 0 C-N-CA 119.957 -1.116 . . . . 1.02 113.741 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.873 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.8 mtt -117.63 -126.11 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 118.131 0.965 . . . . 2.01 112.057 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.504 ' H ' ' HB3' ' A' ' 919' ' ' MET . 23.9 t0 170.58 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.249 1.02 . . . . 1.26 108.738 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.04 173.81 10.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.725 . . . . 1.26 110.822 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.465 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 97.1 m -145.85 120.68 9.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.732 -0.47 . . . . 1.13 109.732 176.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 935' ' ' THR . 20.4 mt -125.93 -174.86 3.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.588 -0.278 . . . . 0.69 110.275 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.461 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -97.57 143.37 28.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.178 -0.464 . . . . 0.89 110.056 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 0.2 OUTLIER -48.39 -44.53 64.75 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.829 0.677 . . . . 1.11 112.829 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 57.1 Cg_endo -71.14 64.12 2.64 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.694 1.596 . . . . 1.01 112.663 175.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.13 84.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.36 110.608 175.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . 0.405 ' O ' ' HB ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -71.17 169.01 16.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.846 -0.616 . . . . 0.92 110.643 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -38.49 65.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.698 0.285 . . . . 0.92 111.249 -178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.87 -61.42 2.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 1.85 111.548 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.48 -29.52 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.184 -0.462 . . . . 0.93 111.489 -176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -69.09 -35.52 69.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.57 -0.286 . . . . 1.18 110.567 179.165 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -40.29 78.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.597 0.237 . . . . 1.9 110.477 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -58.35 -57.27 13.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.024 -0.535 . . . . 2.25 110.582 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . 0.722 HG21 HD11 ' A' ' 923' ' ' LEU . 1.1 m -63.28 -41.57 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.757 -0.656 . . . . 0.62 112.113 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.6 OUTLIER -66.12 -46.52 77.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.886 -0.143 . . . . 0.86 111.153 -177.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 26.8 m -66.66 -42.58 86.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.686 0.279 . . . . 0.87 111.034 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -40.64 97.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.129 0.49 . . . . 1.42 110.817 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 942' ' ' ARG . 1.9 m-85 -75.24 -38.06 60.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.348 -0.387 . . . . 1.59 111.302 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.432 ' HA ' ' HE1' ' A' ' 825' ' ' MET . . . -63.41 -32.02 73.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.912 0.386 . . . . 0.61 110.262 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -67.9 -44.81 76.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.025 -0.534 . . . . 1.87 110.683 178.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.472 ' HD3' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -72.98 -35.55 66.9 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.639 -0.424 . . . . 3.11 111.46 -176.087 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 34.6 m -72.28 -30.28 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.75 110.31 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 944' ' ' ARG . 18.8 mtt-85 -75.16 -26.8 59.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 3.58 110.123 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -71.54 -46.81 58.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 2.78 109.912 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 28.0 m -63.37 -36.39 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.34 110.434 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 3.53 110.468 177.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.249 -0.649 . . . . 1.9 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.922 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -91.45 110.44 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.221 -0.9 . . . . 1.93 111.049 -174.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 844' ' ' LEU . 4.4 mm -98.76 128.03 50.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.857 -0.61 . . . . 0.47 109.615 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.67 HD13 HG11 ' A' ' 863' ' ' VAL . 19.8 tp -94.44 103.8 15.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 1.37 110.116 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -92.71 101.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.744 0.783 . . . . 1.06 110.349 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 875' ' ' ASP . 2.7 t -101.36 139.08 23.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.222 -0.899 . . . . 1.07 110.13 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.659 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 8.6 t70 -153.44 134.01 13.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.665 -0.494 . . . . 1.3 109.665 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.18 -35.18 71.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.865 -0.607 . . . . 2.03 111.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 0.5 OUTLIER -120.32 130.58 24.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.472 . . . . 2.12 111.799 -174.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 72.0 Cg_exo -50.53 -35.56 46.47 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.144 3.229 . . . . 1.12 114.981 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 tp -62.02 -47.83 91.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 121.134 0.492 . . . . 2.26 111.41 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.659 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.7 OUTLIER -78.78 -29.09 44.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.504 -0.554 . . . . 1.83 109.504 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -54.01 -51.11 65.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.863 -0.608 . . . . 2.78 111.0 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 2.75 110.767 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -53.13 35.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.14 111.009 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 1.43 110.719 -178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.34 68.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.6 111.011 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -36.83 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.34 110.097 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.494 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -59.58 -43.36 93.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.748 -0.66 . . . . 1.85 109.783 173.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 847' ' ' LEU . 49.9 tp -65.47 -32.87 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.678 -0.692 . . . . 1.24 110.508 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.22 92.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.028 -0.606 . . . . 0.52 111.688 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 15.1 m -74.46 -21.7 59.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.7 110.844 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 844' ' ' LEU . 1.7 mt -73.89 -31.41 63.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.973 0.416 . . . . 1.56 110.407 174.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.5 13.74 64.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.897 -0.668 . . . . 0.62 113.13 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -96.19 172.74 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.74 0.27 . . . . 1.22 110.781 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.922 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.6 tp-100 -70.01 133.49 47.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 2.38 110.208 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 6.6 t -109.14 112.97 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.836 0.351 . . . . 0.94 111.134 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -115.23 112.17 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 1.44 109.388 175.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.17 144.27 25.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.713 0.635 . . . . 0.62 112.713 -173.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -151.28 171.13 17.93 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.855 -0.611 . . . . 0.47 109.358 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.57 71.66 1.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.086 0.772 . . . . 1.9 113.086 -177.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.1 t70 162.06 164.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.17 0.988 . . . . 1.45 109.761 168.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.682 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -72.17 -41.19 54.36 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.935 -0.866 . . . . 0.58 110.935 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.75 -30.88 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.95 110.439 176.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 20.3 t0 -62.58 -32.67 73.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.84 110.041 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.15 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.42 -0.809 . . . . 0.51 110.903 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.4 pp -69.5 -27.7 65.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.318 . . . . 1.85 110.745 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -51.69 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 1.72 109.758 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.65 -32.74 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.89 110.24 176.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.735 HD11 HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -65.6 -32.6 74.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 1.66 111.134 178.1 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.4 m -73.16 -28.9 62.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.82 110.171 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -22.8 23.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.024 -0.534 . . . . 3.46 111.982 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -149.95 141.11 23.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.409 0.147 . . . . 1.86 110.979 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -48.86 -65.89 0.49 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.681 0.613 . . . . 3.12 112.472 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.0 OUTLIER 66.25 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 123.601 0.563 . . . . 1.06 111.029 -173.007 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -103.86 -55.28 2.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 1.64 110.806 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.9 mm -123.74 133.29 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.03 110.109 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.735 HG21 HD11 ' A' ' 864' ' ' LEU . 74.8 t -105.29 127.13 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.67 111.094 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 900' ' ' ILE . 11.7 mt -119.02 98.99 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.963 -0.562 . . . . 0.87 109.545 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.568 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -94.39 96.75 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.141 0.496 . . . . 0.73 110.075 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 0.3 OUTLIER -97.53 130.64 44.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.618 -0.719 . . . . 1.34 110.611 -178.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 903' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.327 -0.397 . . . . 1.29 110.989 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 1.003 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.9 p90 . . . . . 0 CA--C 1.514 -0.418 0 CA-C-O 121.577 0.704 . . . . 2.84 112.032 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.555 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.4 -24.77 57.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.199 -0.909 . . . . 3.36 111.216 -164.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.682 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.5 OUTLIER -66.78 -34.79 78.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 122.122 0.963 . . . . 2.34 108.868 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . . . . . . . . . 31.5 m -80.57 -27.36 37.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.181 -1.372 . . . . 1.28 109.535 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 892' ' ' GLN . 0.4 OUTLIER -57.46 -45.51 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.336 -0.616 . . . . 2.17 109.336 173.108 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.89 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.3 -0.864 . . . . 2.36 110.759 175.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -63.0 -34.33 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.896 0.379 . . . . 1.71 110.761 177.423 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 917' ' ' SER . 1.2 ttp85 -67.03 -45.15 78.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.112 0.482 . . . . 2.24 110.329 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 42.5 mt-30 -67.01 -24.16 65.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 2.62 110.418 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -20.6 63.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 1.91 111.346 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.44 4.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.514 -0.851 . . . . 1.12 111.735 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -58.58 146.18 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.181 0.515 . . . . 2.89 111.639 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.12 32.35 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.856 -0.611 . . . . 2.49 110.534 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -151.16 158.63 34.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 1.4 109.806 -177.69 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.495 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 6.2 Cg_exo -78.42 138.28 15.51 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.096 2.53 . . . . 0.73 113.003 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.907 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.1 t -118.36 135.64 58.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.395 0.617 . . . . 0.64 111.17 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.556 ' HB ' HD23 ' A' ' 873' ' ' LEU . 27.5 mt -118.15 131.15 71.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.751 -0.659 . . . . 0.64 109.979 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -116.44 110.39 2.14 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.833 -0.699 . . . . 0.48 111.842 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.457 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 23.5 t -98.6 113.55 33.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.462 -0.57 . . . . 1.04 109.462 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.41 ' HA ' HG23 ' A' ' 876' ' ' VAL . 44.1 p -113.78 156.08 24.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 0.89 111.807 -170.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -109.52 104.91 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 1.19 110.761 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.22 43.45 26.6 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.707 0.63 . . . . 2.7 111.527 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -90.71 89.5 7.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.509 . . . . 2.81 110.312 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.89 121.06 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.739 -0.664 . . . . 3.93 111.374 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 68.96 27.15 5.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.495 -0.775 . . . . 2.09 112.03 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.46 ' OE1' ' HG3' ' A' ' 910' ' ' GLU . 1.1 pm0 -65.67 -28.39 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.909 -0.404 . . . . 3.31 109.909 176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.46 ' HG3' ' OE1' ' A' ' 909' ' ' GLU . 26.5 mt-10 -59.8 -37.11 78.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.865 -0.607 . . . . 3.58 110.35 176.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -73.91 -36.2 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 2.29 110.593 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 1.003 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -71.1 -29.21 64.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.245 -0.582 . . . . 2.65 110.231 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.704 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.1 OUTLIER -63.39 -35.21 79.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 4.05 109.991 173.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.41 -26.51 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 1.65 110.145 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.88 111.841 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.704 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -77.89 -42.75 32.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.579 -0.448 . . . . 3.47 111.546 -178.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 50.6 m 52.26 50.49 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.493 0.923 . . . . 1.35 113.493 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -129.09 -8.31 3.76 Favored Glycine 0 C--N 1.317 -0.497 0 C-N-CA 120.158 -1.02 . . . . 1.02 111.724 173.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.907 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.1 ttm -78.83 -113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.264 . . . . 2.01 110.913 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' A' ' 919' ' ' MET . 19.2 t0 160.43 -53.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.55 1.14 . . . . 1.26 109.23 174.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.5 m -131.51 140.66 49.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.913 -0.585 . . . . 1.26 111.146 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 3.8 m -123.01 130.63 53.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.322 -0.399 . . . . 1.13 109.926 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 10.0 mt -120.83 177.08 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.886 0.374 . . . . 0.69 110.925 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.74 139.66 33.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.746 -0.661 . . . . 0.89 110.025 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.538 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 1.5 tptt -49.36 -39.63 40.58 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 113.523 0.934 . . . . 1.11 113.523 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 44.0 Cg_endo -69.4 59.59 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.767 1.645 . . . . 1.01 112.567 171.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.9 166.66 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.338 -0.392 . . . . 1.36 110.59 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.56 171.95 13.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 0.92 110.322 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -60.15 -46.27 90.24 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 123.282 0.364 . . . . 0.92 110.728 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 37.9 t70 -68.17 -41.53 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.961 -0.295 . . . . 1.85 111.044 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . 0.401 ' HA ' ' NE2' ' A' ' 934' ' ' GLN . 11.2 t -60.77 -47.98 90.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.769 0.319 . . . . 0.93 110.571 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -24.61 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 1.18 110.274 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -40.26 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 1.9 110.634 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 0.9 OUTLIER -61.33 -49.69 75.94 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.029 -0.36 . . . . 2.25 110.029 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -45.71 91.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.347 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.25 -49.19 72.86 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.37 -0.377 . . . . 0.86 111.417 -178.04 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.0 m -65.18 -39.82 93.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.502 -0.317 . . . . 0.87 111.527 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -38.27 73.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 1.42 110.597 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 2.6 m-30 -71.61 -36.42 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.383 . . . . 1.59 110.56 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.58 -35.47 80.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.61 110.859 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.1 -33.98 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.157 -0.312 . . . . 1.87 110.157 177.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 14.6 tpp180 -65.98 -47.29 75.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.339 -0.391 . . . . 3.11 110.31 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 31.9 m -71.62 -30.02 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.814 -0.354 . . . . 0.75 110.351 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 1.1 tpt180 -62.85 -50.49 70.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.314 -0.403 . . . . 3.58 110.595 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.07 -39.38 93.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.991 -0.549 . . . . 2.78 110.815 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 14.9 m -72.4 -25.24 61.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 1.34 111.636 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 3.53 110.557 178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . 0.448 ' HE1' HG21 ' A' ' 943' ' ' VAL . 1.6 mmt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.839 0.352 . . . . 1.9 110.611 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 26.7 ttm -89.01 117.34 27.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 1.93 110.121 177.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -111.17 136.79 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.47 110.231 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.842 ' HB2' HG21 ' A' ' 869' ' ' ILE . 17.4 tp -105.15 119.14 38.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 1.37 110.487 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.4 m -104.25 101.73 12.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.493 0.663 . . . . 1.06 110.181 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.811 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -109.48 86.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 1.07 111.485 -174.172 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -107.66 144.12 35.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.597 0.236 . . . . 1.3 110.945 -176.204 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.42 -9.58 44.15 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.728 0.64 . . . . 2.03 112.728 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.3 OUTLIER -125.71 92.93 45.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.962 -0.461 . . . . 2.12 110.638 -179.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 39.6 Cg_exo -29.31 -41.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.755 1 C-N-CA 126.222 4.615 . . . . 1.12 116.869 -170.18 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -57.68 -36.35 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 120.877 0.37 . . . . 2.26 111.523 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.87 -38.46 66.98 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.632 -0.507 . . . . 1.83 109.632 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.529 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -53.4 -52.03 60.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 2.78 111.211 179.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.639 ' HD2' ' HG ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -67.02 -34.95 78.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.444 -0.344 . . . . 2.75 111.23 -177.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.639 ' HG ' ' HD2' ' A' ' 838' ' ' ARG . 20.6 mt -71.4 -45.74 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.232 0.539 . . . . 1.14 111.09 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.8 tp -68.16 -40.31 82.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.495 -0.775 . . . . 1.43 110.498 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.88 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.6 110.53 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -61.68 -50.78 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 1.34 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.01 -37.85 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 1.85 111.035 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 12.4 tp -65.14 -37.86 88.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 1.24 110.828 177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.17 96.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.96 -0.564 . . . . 0.52 112.108 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -27.74 69.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.888 0.375 . . . . 0.7 110.595 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.684 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -68.14 -29.02 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 1.56 110.754 177.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.91 19.62 53.02 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.863 -0.684 . . . . 0.62 111.661 -176.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.96 153.8 19.86 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 1.22 109.919 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 3.2 mm100 -69.29 128.79 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.923 0.392 . . . . 2.38 110.604 -177.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 112.77 23.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.986 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.08 123.02 48.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.18 -0.674 . . . . 1.44 109.18 175.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 131.04 43.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.473 0.546 . . . . 0.62 112.473 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.811 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -149.18 174.44 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 0.47 108.824 176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 7.5 p-10 -151.2 73.31 1.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.628 -0.829 . . . . 1.9 113.143 -171.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.649 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.3 t70 162.9 156.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.807 0.843 . . . . 1.45 109.88 167.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.48 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -68.85 -41.17 83.72 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.189 -1.005 . . . . 0.58 111.611 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.27 -30.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.752 0.31 . . . . 0.95 110.656 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.88 -30.93 71.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.032 0.444 . . . . 0.84 110.122 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.33 -44.58 88.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 0.51 110.79 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.573 HD11 HG12 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -66.47 -38.73 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 1.85 110.587 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.62 -52.05 67.2 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.604 -0.726 . . . . 1.72 110.943 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 869' ' ' ILE . 13.7 p -70.42 -31.48 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.293 -0.412 . . . . 0.89 110.829 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 872' ' ' VAL . 0.2 OUTLIER -61.09 -37.54 83.1 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.434 -0.348 . . . . 1.66 111.526 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.1 -34.29 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.814 0.34 . . . . 0.82 110.466 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -56.02 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.964 -0.562 . . . . 3.46 110.927 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -131.79 137.92 48.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.874 -0.417 . . . . 1.86 109.874 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -77.35 92.22 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.26 0.552 . . . . 3.12 111.447 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.842 HG21 ' HB2' ' A' ' 828' ' ' LEU . 1.4 mp -78.97 143.09 13.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.933 -1.136 . . . . 1.06 107.933 166.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -25.95 17.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.435 0.532 . . . . 1.64 112.435 -169.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 22.6 mm -129.85 125.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.243 -0.28 . . . . 1.03 110.243 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.52 HG22 HD21 ' A' ' 864' ' ' LEU . 11.7 t -98.23 123.24 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.67 110.936 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' A' ' 900' ' ' ILE . 28.1 mt -121.11 98.22 5.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.884 -0.413 . . . . 0.87 109.884 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 33.6 p -91.56 103.73 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 0.73 109.847 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.843 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 17.1 t0 -87.17 105.22 17.05 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.551 -0.75 . . . . 1.34 110.159 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 27.6 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.811 -0.631 . . . . 1.29 111.207 -171.228 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.563 ' HD2' ' HG2' ' A' ' 916' ' ' GLU . 33.1 p90 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 122.602 1.191 . . . . 2.84 111.349 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.787 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 1.1 tmm_? -55.02 -28.92 55.83 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.744 -1.116 . . . . 3.36 109.948 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.711 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -63.79 -25.23 68.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.205 0.526 . . . . 2.34 109.667 -177.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.711 ' N ' HD13 ' A' ' 886' ' ' LEU . 0.6 OUTLIER -71.54 -31.32 66.89 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.1 -1.074 . . . . 1.28 108.1 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.682 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.3 tt0 -65.64 -44.06 87.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.532 -1.213 . . . . 2.17 110.428 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.513 ' HD3' ' HA ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -60.74 -38.63 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 2.36 110.34 177.445 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 861' ' ' LEU . 56.0 mt -59.58 -51.01 77.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.064 -0.516 . . . . 1.71 111.031 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 917' ' ' SER . 0.1 OUTLIER -63.24 -41.52 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 2.24 110.85 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.522 HE21 ' HG2' ' A' ' 888' ' ' GLN . 1.1 mp0 -67.24 -30.71 70.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 2.62 110.718 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -55.48 9.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 1.91 109.874 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.67 72.53 0.25 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.732 -0.747 . . . . 1.12 111.928 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -67.72 135.64 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 2.89 110.689 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.15 -1.22 14.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.113 -0.494 . . . . 2.49 110.406 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.31 158.63 71.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.65 -0.704 . . . . 1.4 110.194 -174.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.27 129.63 26.11 Favored 'Trans proline' 0 C--O 1.244 0.822 0 C-N-CA 123.131 2.554 . . . . 0.73 113.571 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 12.0 t -111.59 121.77 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.64 110.252 174.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.564 ' HB ' HD23 ' A' ' 873' ' ' LEU . 1.1 mt -114.31 116.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.73 -0.668 . . . . 0.64 109.497 176.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -102.5 126.64 8.94 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.449 -0.881 . . . . 0.48 112.136 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.633 HG22 HD12 ' A' ' 923' ' ' LEU . 2.1 t -91.12 95.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.203 -0.665 . . . . 1.04 109.203 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.91 173.46 7.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.815 -0.63 . . . . 0.89 111.445 -173.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -142.99 103.66 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.643 0.258 . . . . 1.19 110.869 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . 0.418 ' HB3' ' H ' ' A' ' 906' ' ' ALA . 17.1 t-20 63.96 -103.64 0.11 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.553 -0.749 . . . . 2.7 111.291 175.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.418 ' H ' ' HB3' ' A' ' 905' ' ' ASN . . . 58.62 18.24 5.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.966 0.506 . . . . 2.81 111.642 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.2 mp 69.95 -53.64 0.62 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.702 0.801 . . . . 3.93 111.713 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -139.92 71.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.424 -0.353 . . . . 2.09 110.384 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 2.5 pt-20 -61.6 -50.74 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 3.31 111.537 -177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -61.15 -40.94 95.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 3.58 110.588 -179.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -36.52 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.754 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.7 mp0 -73.4 -31.0 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 2.65 109.992 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.696 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 11.5 ttp180 -66.73 -27.53 67.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.829 -0.623 . . . . 4.05 110.085 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 70.3 m -76.27 -30.34 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 1.65 110.638 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -51.32 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 1.88 111.075 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.695 ' HG3' ' HA ' ' A' ' 885' ' ' ARG . 8.9 mm-40 -78.05 -25.77 47.97 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.946 -0.57 . . . . 3.47 110.564 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 50.52 53.12 13.5 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.476 1.658 . . . . 1.35 115.476 166.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.54 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.29 25.63 2.48 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.413 -1.375 . . . . 1.02 113.966 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.762 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.1 ttt -113.94 -100.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.563 0.681 . . . . 2.01 111.734 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.468 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.3 t70 160.5 -57.33 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.364 -1.289 . . . . 1.26 107.711 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 58.4 m -147.59 160.27 42.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.116 -0.947 . . . . 1.26 110.749 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.696 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -133.01 147.54 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 1.13 110.41 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.633 HD12 HG22 ' A' ' 902' ' ' VAL . 0.2 OUTLIER -126.62 -175.69 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.502 -0.555 . . . . 0.69 109.502 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.96 135.83 50.89 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.287 -0.165 . . . . 0.89 111.008 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.501 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -43.64 -47.47 19.38 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.494 0.924 . . . . 1.11 113.494 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 22.0 Cg_exo -67.8 60.14 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.102 1.868 . . . . 1.01 112.445 174.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 1.1 t -89.33 143.4 11.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 1.36 110.41 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.62 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.435 -0.348 . . . . 0.92 111.413 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -55.53 -40.15 71.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.04 -0.527 . . . . 0.92 111.512 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.6 -43.24 60.21 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.941 -0.304 . . . . 1.85 111.109 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.65 -45.48 97.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.069 0.462 . . . . 0.93 110.621 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 847' ' ' LEU . 3.4 tt -65.0 -28.87 45.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.211 -0.45 . . . . 1.18 110.719 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 933' ' ' LYS . 0.3 OUTLIER -69.05 -47.61 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.523 -0.308 . . . . 1.9 111.472 -178.486 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.436 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -64.39 -44.85 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 2.25 110.423 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.605 -0.271 . . . . 0.62 111.477 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.684 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.4 OUTLIER -57.08 -56.61 19.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.318 0.58 . . . . 0.86 110.667 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.7 m -61.86 -41.01 97.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.06 -0.973 . . . . 0.87 111.373 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 1.42 111.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' ' 943' ' ' VAL . 10.2 m-85 -83.16 -27.33 30.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.159 0.429 . . . . 1.59 112.159 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.69 96.66 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.311 0.577 . . . . 0.61 110.102 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 5.2 pt-20 -74.23 -26.97 60.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.868 -0.605 . . . . 1.87 110.35 177.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 5.6 ttt180 -69.08 -48.48 62.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 3.11 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 939' ' ' TYR . 5.7 m -65.14 -33.87 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.75 110.386 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -65.26 -43.06 92.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 3.58 110.459 175.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.6 mtmm -64.32 -45.67 86.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 2.78 110.915 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.8 m -63.57 -41.03 98.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 1.34 111.935 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.951 0.405 . . . . 3.53 111.063 -178.346 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 3.3 ttm . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.608 -0.515 . . . . 1.9 109.608 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.507 ' CG ' ' HA ' ' A' ' 869' ' ' ILE . 0.7 OUTLIER -91.22 124.46 35.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.286 0.565 . . . . 1.93 110.643 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.2 mm -112.97 132.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.216 -0.902 . . . . 0.47 109.615 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.634 ' HB2' HG21 ' A' ' 869' ' ' ILE . 22.1 tp -100.99 111.66 23.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.676 0.274 . . . . 1.37 110.895 -176.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 873' ' ' LEU . 1.5 m -92.5 95.59 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.54 . . . . 1.06 109.812 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.21 82.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 1.07 110.924 -176.001 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.511 ' OD2' ' HB2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -104.53 138.75 40.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.918 0.389 . . . . 1.3 110.731 -176.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -18.6 35.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.832 -0.622 . . . . 2.03 112.234 -175.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 3.0 m80 -128.61 102.04 20.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 121.91 -0.494 . . . . 2.12 110.946 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 7.9 Cg_exo -30.21 -41.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.807 1 C-N-CA 126.901 5.068 . . . . 1.12 117.184 -165.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -34.89 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 117.93 0.332 . . . . 2.26 111.636 -175.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.17 -25.24 29.73 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.465 -0.494 . . . . 1.83 111.205 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 5.5 ttp-105 -62.2 -53.35 56.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 2.78 110.4 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.42 91.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.813 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 839' ' ' LEU . 2.1 mt -65.95 -41.59 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 1.14 110.784 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.461 HD11 HD13 ' A' ' 932' ' ' ILE . 15.9 tp -66.47 -37.53 85.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 1.43 110.433 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.65 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.537 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.09 -45.5 81.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 1.34 109.793 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.602 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -63.47 -40.81 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.706 -0.679 . . . . 1.85 110.572 177.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.9 tp -62.87 -32.35 73.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 1.24 110.694 176.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.43 91.44 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.825 -0.625 . . . . 0.52 111.977 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.7 110.226 175.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -34.3 67.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.882 -0.599 . . . . 1.56 110.182 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 83.71 25.28 46.8 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.624 -0.717 . . . . 0.62 112.243 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . 0.425 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 0.6 OUTLIER -99.77 167.54 10.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 1.22 111.399 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.55 127.05 31.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.845 -0.616 . . . . 2.38 110.785 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.7 m -105.66 119.12 38.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.151 -0.477 . . . . 0.94 110.625 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -110.86 116.52 31.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 1.44 109.672 177.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 129.17 35.83 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.452 0.538 . . . . 0.62 112.452 -172.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.765 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -156.78 163.81 38.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.457 -0.942 . . . . 0.47 108.457 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -146.85 70.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.292 -0.963 . . . . 1.9 112.712 -171.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.64 158.23 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.399 1.062 . . . . 1.45 109.504 171.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -65.07 -45.9 90.42 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.24 -0.505 . . . . 0.58 113.246 -176.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 34.9 m -74.74 -29.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 117.195 0.497 . . . . 0.95 112.006 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.15 -28.02 69.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.889 0.376 . . . . 0.84 110.444 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -61.11 -38.02 84.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.51 110.132 173.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 890' ' ' ILE . 3.2 mm? -67.82 -40.32 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 1.85 110.215 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.86 -53.37 59.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.609 -0.723 . . . . 1.72 110.545 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 869' ' ' ILE . 12.0 p -67.55 -32.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.261 -0.427 . . . . 0.89 110.716 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.1 OUTLIER -63.11 -40.17 96.83 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.954 0.407 . . . . 1.66 110.519 176.198 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 12.8 m -69.24 -27.31 65.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.452 . . . . 0.82 110.555 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -45.45 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 3.46 111.551 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.33 146.32 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 1.86 110.774 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.07 112.39 9.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.279 0.561 . . . . 3.12 111.255 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.634 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -96.43 145.37 8.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.076 -1.083 . . . . 1.06 108.076 168.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . 0.45 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.2 m-20 -90.18 -47.13 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.843 -0.343 . . . . 1.64 111.535 -173.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.669 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.4 mm -122.24 122.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.849 -0.426 . . . . 1.03 109.849 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.07 124.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.955 -0.298 . . . . 0.67 110.781 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.803 -0.443 . . . . 0.87 109.803 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.58 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.73 110.673 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.657 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 61.8 t0 -102.98 120.07 39.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.38 -0.827 . . . . 1.34 110.456 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.235 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 1.058 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.415 0.626 . . . . 2.84 111.123 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -59.21 -27.38 65.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.675 -0.693 . . . . 3.36 112.231 -168.111 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.508 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.2 OUTLIER -72.82 -26.46 61.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.535 1.159 . . . . 2.34 108.58 -171.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 1.081 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 56.7 m -84.89 -24.67 28.4 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 113.953 -1.476 . . . . 1.28 108.843 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 11.8 tm0? -56.84 -39.71 74.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.116 -0.698 . . . . 2.17 109.116 169.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 889' ' ' ARG . 0.0 OUTLIER -58.38 -43.95 88.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.512 -0.767 . . . . 2.36 109.95 170.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.932 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.3 OUTLIER -53.8 -41.32 47.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.921 0.391 . . . . 1.71 110.68 175.014 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 2.24 110.992 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.73 -40.05 82.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 2.62 110.535 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -49.45 33.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.806 -0.634 . . . . 1.91 110.194 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.78 92.18 2.25 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.082 -0.807 . . . . 1.12 111.082 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.698 HD13 ' HG ' ' A' ' 897' ' ' LEU . 0.5 OUTLIER -88.49 155.04 19.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.383 0.611 . . . . 2.89 111.74 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.5 t -124.95 13.19 8.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 2.49 109.51 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -139.2 159.67 65.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.11 -0.95 . . . . 1.4 110.263 -174.067 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.65 139.02 12.33 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 123.104 2.536 . . . . 0.73 113.117 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.775 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 68.2 t -112.73 122.31 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.437 0.636 . . . . 0.64 110.821 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 0.0 OUTLIER -100.92 112.78 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.685 -0.689 . . . . 0.64 109.198 174.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.37 104.37 3.16 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.519 -0.848 . . . . 0.48 112.576 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.2 t -79.62 94.23 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.812 . . . . 1.04 108.806 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 0.6 OUTLIER -107.88 130.9 54.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.051 0.453 . . . . 0.89 112.167 -171.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -119.14 128.81 54.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.816 -0.629 . . . . 1.19 109.842 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 65.84 22.61 11.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.194 0.521 . . . . 2.7 111.33 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 903' ' ' THR . . . -113.69 90.87 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 2.81 109.984 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 168.71 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 3.93 111.118 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 60.96 34.14 19.54 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.415 0.626 . . . . 2.09 109.796 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -70.9 -26.22 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.057 -0.974 . . . . 3.31 111.622 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.76 -48.29 69.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.244 -0.65 . . . . 3.58 109.244 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -35.32 78.54 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.509 -0.769 . . . . 2.29 110.818 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 1.058 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -68.69 -36.94 79.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.472 -0.491 . . . . 2.65 109.855 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.483 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -61.51 -31.53 71.53 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.647 0.592 . . . . 4.05 110.457 177.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.24 -34.68 59.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.247 -0.433 . . . . 1.65 110.722 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.31 -51.88 21.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 1.88 111.956 -178.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 1.081 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -77.16 -31.77 55.77 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.984 -0.376 . . . . 3.47 109.984 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.61 51.58 15.78 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.648 0.981 . . . . 1.35 113.648 172.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -143.64 -2.94 0.87 Allowed Glycine 0 C--N 1.317 -0.492 0 C-N-CA 119.548 -1.31 . . . . 1.02 112.765 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.775 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.0 OUTLIER -77.92 -128.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 2.01 111.552 -175.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 919' ' ' MET . 6.6 t70 173.77 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.512 -0.921 . . . . 1.26 108.512 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 11.4 m -142.03 140.47 32.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.688 -0.687 . . . . 1.26 110.336 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 140.27 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.429 -0.35 . . . . 1.13 110.797 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.472 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -134.96 -179.65 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.69 110.333 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.549 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -106.54 158.95 16.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.975 -0.557 . . . . 0.89 110.147 179.179 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.699 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.9 tptt -52.18 -48.85 87.63 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.764 0.653 . . . . 1.11 112.764 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 8.2 Cg_exo -73.29 70.02 3.97 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.038 1.825 . . . . 1.01 112.565 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.21 117.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.532 . . . . 1.36 110.792 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.02 157.45 25.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.92 110.918 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -53.51 -46.54 70.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.92 111.378 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 1.7 t0 -75.0 -27.31 60.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.831 -0.348 . . . . 1.85 111.406 -176.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.67 -47.63 75.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 0.93 109.237 176.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -68.55 -21.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 1.18 110.521 176.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -68.93 -43.23 75.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 1.9 111.051 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.484 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.03 -42.33 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.305 -0.558 . . . . 2.25 110.08 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.57 82.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.62 111.207 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.03 -49.93 75.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.86 110.706 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 87.3 m -62.27 -44.25 96.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.106 -0.497 . . . . 0.87 111.285 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 3.2 tp -65.81 -38.85 90.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 1.42 111.048 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.675 ' HA ' ' HD2' ' A' ' 942' ' ' ARG . 3.8 m-30 -72.24 -41.69 66.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.379 -0.373 . . . . 1.59 110.8 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.71 95.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.61 111.307 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -68.71 -39.09 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.808 -0.357 . . . . 1.87 110.268 178.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.675 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -68.1 -40.89 82.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.394 -0.366 . . . . 3.11 111.32 -176.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.34 -30.28 30.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.75 110.345 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.12 98.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.735 -0.468 . . . . 3.58 109.735 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -64.91 -43.81 91.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.582 . . . . 2.78 110.077 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.8 m -63.95 -17.54 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.114 -0.493 . . . . 1.34 111.937 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.576 0.227 . . . . 3.53 111.284 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.218 0.533 . . . . 1.9 110.627 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.473 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 17.3 mtm -94.39 124.02 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.513 -0.767 . . . . 1.93 110.46 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.512 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.2 mm -116.62 137.18 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.548 -0.751 . . . . 0.47 110.046 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.713 HD22 HD13 ' A' ' 869' ' ' ILE . 23.9 tp -106.63 107.5 18.54 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.276 -0.42 . . . . 1.37 110.14 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.48 95.64 4.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 1.06 110.194 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 854' ' ' ALA . 3.5 t -105.78 140.99 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 1.07 109.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.747 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.39 149.01 20.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.111 -0.329 . . . . 1.3 110.111 173.463 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -16.71 34.69 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.224 0.453 . . . . 2.03 112.224 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -118.31 90.15 37.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 119.824 -0.131 . . . . 2.12 110.672 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -34.32 -35.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.829 1 C-N-CA 125.507 4.138 . . . . 1.12 116.568 -168.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -58.09 -38.2 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.852 0.358 . . . . 2.26 111.139 178.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.06 -27.8 30.02 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.211 -0.306 . . . . 1.83 110.37 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 4.1 ttp180 -55.06 -49.05 72.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.233 0.54 . . . . 2.78 110.375 172.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.3 OUTLIER -66.82 -36.54 82.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 2.75 110.616 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.09 73.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 1.14 111.399 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.01 -41.83 97.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.43 110.272 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.64 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.6 110.887 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -48.4 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.329 0.585 . . . . 1.34 110.232 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.61 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.62 -32.62 73.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 1.85 110.45 178.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 851' ' ' CYS . 13.7 tp -65.67 -31.91 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 1.24 110.199 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.65 91.04 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.841 -0.618 . . . . 0.52 111.788 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -35.31 75.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.769 0.319 . . . . 0.7 110.214 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -50.13 44.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.056 0.455 . . . . 1.56 110.462 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.33 22.66 21.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.86 -0.686 . . . . 0.62 112.952 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.51 175.86 6.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.006 -0.368 . . . . 1.22 110.006 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.6 OUTLIER -69.61 119.21 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.686 0.279 . . . . 2.38 111.23 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.623 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -104.53 103.24 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.936 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -105.07 113.51 27.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.887 -0.412 . . . . 1.44 109.887 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.88 145.46 24.73 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.944 0.72 . . . . 0.62 112.944 -172.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.546 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -146.77 170.02 17.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.529 -1.285 . . . . 0.47 107.529 171.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 2.0 p-10 -145.01 72.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.102 -1.039 . . . . 1.9 112.991 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.614 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 4.4 t70 162.78 160.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.094 0.871 . . . . 1.45 109.264 172.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.579 ' O ' HD13 ' A' ' 886' ' ' LEU . . . -68.08 -49.85 44.25 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.502 -0.856 . . . . 0.58 110.966 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -72.41 -28.47 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.576 0.226 . . . . 0.95 110.905 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.2 t0 -58.39 -32.5 68.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.84 110.453 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -63.81 -35.24 79.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.51 110.672 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 861' ' ' LEU . 3.5 mm? -64.54 -39.52 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 1.85 110.242 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -51.82 59.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 1.72 110.579 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 860' ' ' ALA . 9.0 p -67.1 -32.17 56.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.586 -0.279 . . . . 0.89 111.349 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.61 -31.89 71.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.957 0.408 . . . . 1.66 111.214 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 30.4 m -79.08 -21.04 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.908 0.385 . . . . 0.82 110.769 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -43.18 13.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 3.46 111.019 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.08 150.0 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.469 -0.332 . . . . 1.86 110.569 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.58 93.63 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.999 0.428 . . . . 3.12 110.921 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.713 HD13 HD22 ' A' ' 828' ' ' LEU . 1.2 mp -81.04 155.81 4.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.241 -0.651 . . . . 1.06 109.241 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -67.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.524 -0.47 . . . . 1.64 111.034 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 48.8 mm -94.39 116.61 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.339 -0.391 . . . . 1.03 110.174 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.638 HG13 HD23 ' A' ' 828' ' ' LEU . 53.4 t -106.37 123.15 60.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.599 0.238 . . . . 0.67 110.795 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 900' ' ' ILE . 1.1 mt -121.22 114.57 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.417 . . . . 0.87 109.942 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.523 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 6.4 p -111.04 107.3 16.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.743 0.306 . . . . 0.73 110.387 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 60.6 t0 -92.23 121.31 33.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.791 -0.641 . . . . 1.34 110.723 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.769 -0.65 . . . . 1.29 109.896 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.644 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 1.1 p90 . . . . . 0 C--O 1.239 0.54 0 CA-C-O 122.353 1.073 . . . . 2.84 110.474 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.69 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.1 OUTLIER -58.43 -26.96 63.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.164 -1.38 . . . . 3.36 111.58 -176.309 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 857' ' ' GLY . 0.3 OUTLIER -67.8 -27.17 66.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.274 -1.01 . . . . 2.34 108.274 -175.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.907 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -80.23 -26.06 39.28 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 113.894 -1.503 . . . . 1.28 108.22 -178.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 3.6 tp-100 -62.84 -40.09 96.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 2.17 109.416 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -36.9 83.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.36 110.176 177.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' A' ' 895' ' ' LEU . 75.9 mt -62.14 -35.65 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.71 110.303 176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.702 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -65.13 -36.46 84.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 2.24 110.519 176.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -76.74 -18.81 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.206 0.527 . . . . 2.62 110.483 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -25.53 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 1.91 110.432 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 83.15 80.37 1.0 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 1.12 111.933 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' A' ' 890' ' ' ILE . 1.0 OUTLIER -73.43 142.41 46.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.09 0.471 . . . . 2.89 111.257 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 20.71 6.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.668 -0.696 . . . . 2.49 109.525 174.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.6 160.66 55.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.16 -0.927 . . . . 1.4 110.209 -172.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.6 113.18 3.72 Favored 'Trans proline' 0 C--O 1.24 0.575 0 C-N-CA 122.711 2.274 . . . . 0.73 112.262 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.748 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 32.6 t -99.09 110.08 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.303 0.573 . . . . 0.64 110.048 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 873' ' ' LEU . 0.7 OUTLIER -101.79 107.37 21.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.395 0.617 . . . . 0.64 109.829 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.66 101.64 2.66 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.504 -0.771 . . . . 0.48 112.616 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 30.5 t -75.84 121.08 26.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.527 -0.916 . . . . 1.04 108.527 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -134.29 139.66 45.86 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.663 -0.415 . . . . 0.89 111.661 -173.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -105.37 104.14 13.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 1.19 110.049 173.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 50.03 67.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.627 -0.715 . . . . 2.7 111.812 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -89.43 5.58 44.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.395 -0.366 . . . . 2.81 110.256 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.7 mt 59.76 83.48 0.13 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.337 -0.847 . . . . 3.93 110.797 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 65.16 52.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.586 -0.734 . . . . 2.09 110.413 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.821 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 1.5 pm0 -57.37 -22.84 45.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.565 -0.743 . . . . 3.31 111.576 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -58.77 -48.21 82.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 3.58 110.354 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.72 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 2.29 110.375 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.644 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.0 mp0 -64.22 -40.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 2.65 110.253 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -59.94 -39.83 86.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 4.05 110.744 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 33.5 m -73.05 -32.42 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 1.65 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -47.58 59.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.007 -0.542 . . . . 1.88 111.123 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.907 ' HB2' HG22 ' A' ' 887' ' ' THR . 24.7 mm-40 -78.04 -24.18 47.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.007 0.432 . . . . 3.47 110.313 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . 0.702 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER 51.21 50.98 17.9 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.937 1.088 . . . . 1.35 113.937 170.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.39 26.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.682 -0.77 . . . . 1.02 112.543 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.748 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.2 ttm -113.81 -110.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.963 0.411 . . . . 2.01 111.544 -173.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 919' ' ' MET . 10.0 t70 163.73 -60.17 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.761 -1.2 . . . . 1.26 107.761 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.11 163.71 36.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.028 -0.987 . . . . 1.26 109.601 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 139.99 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 1.13 110.927 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 902' ' ' VAL . 1.7 mt -122.59 -175.14 3.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 0.69 109.522 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.5 m -111.27 151.2 28.6 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.563 -0.162 . . . . 0.89 110.563 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.702 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 4.6 tttp -47.97 -42.53 49.04 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.436 0.902 . . . . 1.11 113.436 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.6 Cg_endo -65.13 61.45 0.32 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.172 1.915 . . . . 1.01 113.574 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.63 81.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.587 -0.523 . . . . 1.36 109.587 173.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -176.82 3.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 0.92 110.588 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -29.81 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.311 0.576 . . . . 0.92 109.613 175.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -68.06 -61.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 1.85 109.884 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.68 -43.14 86.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.579 -0.737 . . . . 0.93 111.587 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 936' ' ' LEU . 3.0 tt -68.44 -32.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.925 0.343 . . . . 1.18 111.925 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -44.84 37.4 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 1.9 111.844 -176.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -42.9 98.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.41 -0.516 . . . . 2.25 110.029 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.4 m -67.69 -50.2 58.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.62 111.509 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.62 -50.31 73.09 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.751 -0.204 . . . . 0.86 111.286 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 11.6 m -61.69 -44.2 97.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.469 -0.332 . . . . 0.87 111.689 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -69.43 -36.05 76.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.731 0.301 . . . . 1.42 111.294 -177.146 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 943' ' ' VAL . 12.4 m-85 -81.16 -32.19 33.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.818 -0.353 . . . . 1.59 111.461 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.03 0.443 . . . . 0.61 110.667 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.8 OUTLIER -71.73 -34.05 69.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.573 -0.451 . . . . 1.87 110.307 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.589 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.58 -42.93 91.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.684 -0.234 . . . . 3.11 111.251 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 17.2 m -72.71 -30.66 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.585 -0.446 . . . . 0.75 110.566 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -70.21 -43.74 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 3.58 111.071 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -73.32 -33.87 65.39 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.001 -0.28 . . . . 2.78 111.092 -179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 34.1 m -73.69 -19.04 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 1.34 110.857 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 3.53 110.269 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . 0.577 ' SD ' ' HB1' ' A' ' 940' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.844 0.354 . . . . 1.9 111.132 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.4 ptp -113.94 122.57 47.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.144 0.497 . . . . 1.93 110.596 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 2.7 mm -119.09 140.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.478 -0.783 . . . . 0.47 110.074 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.892 ' HB2' HG21 ' A' ' 869' ' ' ILE . 11.6 tp -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.37 110.938 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.471 HG13 HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.2 98.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.444 0.64 . . . . 1.06 109.904 176.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 854' ' ' ALA . 21.0 t -109.62 143.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.53 -0.759 . . . . 1.07 110.106 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.49 146.04 18.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.056 -0.72 . . . . 1.3 109.056 171.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -13.29 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.529 0.566 . . . . 2.03 112.529 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.9 OUTLIER -130.95 92.97 32.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 O-C-N 122.198 -0.314 . . . . 2.12 110.744 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 67.6 Cg_exo -22.86 -44.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 1 C-N-CA 127.257 5.305 . . . . 1.12 118.02 -167.198 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.7 OUTLIER -55.31 -37.04 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 117.994 0.361 . . . . 2.26 111.958 -175.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -75.05 -39.46 60.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.904 -0.318 . . . . 1.83 110.18 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.883 ' HD3' ' HB ' ' A' ' 853' ' ' THR . 6.9 ttm180 -58.07 -47.66 82.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 2.78 111.535 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -67.95 -35.32 78.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 2.75 111.14 -177.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.35 75.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.071 0.463 . . . . 1.14 110.384 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 932' ' ' ILE . 14.7 tp -63.27 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 1.43 110.533 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.45 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.6 111.36 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.54 -44.2 75.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 1.34 109.777 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -61.81 -49.63 75.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.405 -0.816 . . . . 1.85 110.394 177.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 42.6 tp -60.21 -41.59 93.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.929 -0.578 . . . . 1.24 111.066 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.78 -33.75 88.09 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.976 -0.63 . . . . 0.52 112.205 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 21.9 m -68.63 -26.99 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.319 . . . . 0.7 111.026 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' A' ' 936' ' ' LEU . 17.7 mt -71.27 -36.81 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 1.56 110.58 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 113.35 33.35 1.96 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.643 -0.789 . . . . 0.62 112.362 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -119.31 160.24 22.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.057 -0.349 . . . . 1.22 110.057 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 116.25 23.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 2.38 110.271 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 108.67 20.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.94 111.614 -176.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.465 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.1 OUTLIER -98.36 113.76 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.135 -0.691 . . . . 1.44 109.135 174.551 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.883 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 25.5 p -90.84 149.13 22.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.218 0.533 . . . . 0.62 112.052 -171.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.667 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.7 172.48 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.284 -0.871 . . . . 0.47 109.393 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.59 70.54 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.158 -0.617 . . . . 1.9 112.104 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t70 161.39 166.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.288 1.035 . . . . 1.45 109.593 170.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.528 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -75.41 -42.55 27.4 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.602 -0.809 . . . . 0.58 111.123 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.425 HG22 ' OD1' ' A' ' 856' ' ' ASP . 14.9 m -73.29 -28.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.95 110.677 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.8 t0 -55.45 -41.41 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.308 0.575 . . . . 0.84 109.88 172.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.378 -0.828 . . . . 0.51 110.96 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 890' ' ' ILE . 2.8 mm? -57.78 -44.28 86.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.095 0.474 . . . . 1.85 110.948 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.67 -52.54 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.642 -0.708 . . . . 1.72 111.064 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.717 ' HA ' ' HE2' ' A' ' 866' ' ' LYS . 13.5 p -65.83 -32.83 59.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.89 111.043 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 872' ' ' VAL . 7.8 mt -65.03 -34.57 78.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.864 0.364 . . . . 1.66 110.981 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.5 m -70.58 -35.23 72.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.82 110.642 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 863' ' ' VAL . 27.3 mtmt -80.03 -30.64 39.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.15 -0.477 . . . . 3.46 111.439 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -154.39 136.17 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 1.86 110.353 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -78.06 97.37 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.119 0.485 . . . . 3.12 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.892 HG21 ' HB2' ' A' ' 828' ' ' LEU . 3.3 mp -75.91 132.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 107.445 -1.317 . . . . 1.06 107.445 165.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.41 -39.87 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.284 -0.567 . . . . 1.64 111.626 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 940' ' ' ALA . 7.8 mt -131.32 131.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.282 -0.266 . . . . 1.03 110.282 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 864' ' ' LEU . 53.9 t -115.07 124.22 71.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.571 -0.286 . . . . 0.67 110.829 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -114.98 111.39 21.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.914 -0.402 . . . . 0.87 109.914 176.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.508 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -105.99 110.62 22.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.986 0.422 . . . . 0.73 110.629 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 52.0 t0 -94.94 125.75 39.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.689 . . . . 1.34 110.54 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.128 -0.487 . . . . 1.29 110.41 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 1.062 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.8 p90 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.878 0.846 . . . . 2.84 111.518 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.649 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.29 -27.4 62.11 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.939 -1.028 . . . . 3.36 110.535 -168.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.596 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -29.24 70.06 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.692 0.758 . . . . 2.34 109.871 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 1.064 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 87.4 m -85.35 -24.88 27.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.088 -0.96 . . . . 1.28 109.046 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 22.7 tt0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.915 -0.772 . . . . 2.17 108.915 170.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -30.78 63.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.153 -0.931 . . . . 2.36 110.209 173.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.62 ' HB ' ' HA ' ' A' ' 887' ' ' THR . 1.0 OUTLIER -60.56 -46.97 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.35 -0.386 . . . . 1.71 110.938 176.292 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.8 OUTLIER -69.65 -30.67 68.41 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.699 -0.4 . . . . 2.24 110.395 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -39.63 87.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.246 0.546 . . . . 2.62 110.572 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -46.79 33.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 1.91 110.39 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 128.54 83.35 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.328 -0.709 . . . . 1.12 111.328 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 138.53 57.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.174 0.512 . . . . 2.89 111.381 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.29 33.77 1.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.723 -0.671 . . . . 2.49 109.767 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.52 155.62 13.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 1.4 110.214 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.01 131.59 13.31 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 123.058 2.505 . . . . 0.73 112.398 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.714 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.8 t -108.66 128.64 64.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.115 -0.493 . . . . 0.64 110.073 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 55.0 mt -117.41 112.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.835 -0.621 . . . . 0.64 109.766 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.3 115.65 4.97 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.65 -0.786 . . . . 0.48 112.573 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -85.58 125.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.023 -1.103 . . . . 1.04 108.023 173.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 909' ' ' GLU . 4.1 p -137.91 148.6 45.47 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.442 -0.503 . . . . 0.89 111.938 -169.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.01 102.96 9.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.294 -0.412 . . . . 1.19 110.413 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 47.66 54.97 9.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.355 -0.839 . . . . 2.7 112.188 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.683 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -89.52 51.66 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.158 -0.474 . . . . 2.81 110.723 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.455 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.82 -102.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.461 -0.791 . . . . 3.93 110.303 -177.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.455 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -120.7 92.19 3.71 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.21 -0.663 . . . . 2.09 109.21 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.683 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 41.6 mp0 -60.44 -35.7 76.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.084 -0.507 . . . . 3.31 111.404 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -65.38 -27.88 68.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.99 0.424 . . . . 3.58 110.124 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -36.02 57.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.953 -0.567 . . . . 2.29 110.59 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 1.062 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -75.06 -29.78 60.83 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.689 -0.804 . . . . 2.65 109.562 176.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.491 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 9.3 ttp85 -62.55 -36.25 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.367 0.603 . . . . 4.05 109.888 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 96.9 m -74.2 -30.62 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 1.65 110.299 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.0 OUTLIER -70.76 -52.57 19.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 1.88 111.398 -178.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 1.064 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.41 -26.38 41.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.497 -0.32 . . . . 3.47 110.734 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.5 50.26 17.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.87 1.063 . . . . 1.35 113.87 173.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.408 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -148.36 -16.35 0.11 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.487 -1.34 . . . . 1.02 114.216 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.717 ' O ' ' HB2' ' A' ' 920' ' ' ASP . 4.9 mmt -62.82 -111.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.46 0.541 . . . . 2.01 112.46 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.717 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.1 t0 153.79 -58.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.439 1.096 . . . . 1.26 109.608 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.51 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.7 OUTLIER -125.63 150.43 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 1.26 110.44 -178.508 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.36 132.78 36.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.23 -0.441 . . . . 1.13 109.933 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 178.73 6.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.69 110.639 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 159.53 15.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.191 -0.459 . . . . 0.89 110.131 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.45 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 1.0 OUTLIER -59.33 -48.42 96.09 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.702 0.63 . . . . 1.11 112.702 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.4 Cg_exo -74.69 68.41 5.48 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.241 1.96 . . . . 1.01 112.684 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.44 116.18 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.181 -0.463 . . . . 1.36 110.521 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 176.7 9.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.191 -0.459 . . . . 0.92 111.759 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -56.2 -46.96 79.23 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.271 -0.422 . . . . 0.92 111.458 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.59 -37.92 49.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.713 -0.395 . . . . 1.85 111.791 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.2 -44.67 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.394 0.616 . . . . 0.93 109.754 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.845 HG23 HD23 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -61.74 -38.45 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.346 -0.843 . . . . 1.18 109.686 174.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -63.23 -48.72 77.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 1.9 112.027 -176.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -47.28 84.57 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.69 -0.404 . . . . 2.25 110.869 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 5.2 m -65.11 -44.31 89.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.62 111.518 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.845 HD23 HG23 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -64.15 -57.4 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.86 111.473 -178.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 941' ' ' GLU . 11.2 m -56.87 -46.01 82.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 0.87 111.389 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.5 OUTLIER -58.78 -53.01 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.472 -0.331 . . . . 1.42 111.369 -177.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.502 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.4 OUTLIER -75.12 -46.97 30.96 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.926 0.343 . . . . 1.59 111.926 -174.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 871' ' ' ILE . . . -62.52 -42.11 99.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.61 111.512 -176.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 937' ' ' THR . 0.0 OUTLIER -74.64 -29.96 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.785 -0.366 . . . . 1.87 110.263 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 938' ' ' LEU . 0.0 OUTLIER -63.77 -47.56 80.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.701 -0.227 . . . . 3.11 110.422 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 939' ' ' TYR . 1.7 m -69.48 -39.07 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.683 -0.407 . . . . 0.75 110.375 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 944' ' ' ARG . 2.4 ttp180 -61.6 -48.58 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 3.58 110.961 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -18.38 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.756 -0.202 . . . . 2.78 111.519 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 70.4 m -69.61 -40.26 76.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 1.34 110.354 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 947' ' ' ARG . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 3.53 110.243 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 110.283 -0.265 . . . . 1.9 110.283 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.485 ' HG3' ' HA ' ' A' ' 869' ' ' ILE . 11.0 ptp -111.9 122.07 46.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.526 0.679 . . . . 1.93 110.213 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.741 HG23 ' HB ' ' A' ' 871' ' ' ILE . 4.6 mm -107.86 138.76 32.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.903 -1.044 . . . . 0.47 109.506 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 830' ' ' VAL . 39.0 tp -95.14 108.79 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.077 0.465 . . . . 1.37 110.672 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.411 HG12 ' HG ' ' A' ' 840' ' ' LEU . 0.1 OUTLIER -98.63 95.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.505 -0.771 . . . . 1.06 110.009 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.853 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.16 142.13 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.472 -0.785 . . . . 1.07 109.886 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -150.77 151.98 33.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.28 -0.267 . . . . 1.3 110.28 176.176 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -17.44 20.6 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.864 0.364 . . . . 2.03 111.661 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.06 88.06 44.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 122.302 -0.249 . . . . 2.12 110.431 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -25.27 -45.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 1 C-N-CA 126.51 4.806 . . . . 1.12 117.538 -166.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -30.43 41.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.87 0.367 . . . . 2.26 111.585 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.34 -33.47 43.01 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 110.268 -0.271 . . . . 1.83 110.268 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.1 ttp180 -57.43 -40.69 78.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.17 0.51 . . . . 2.78 110.37 171.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -58.79 -46.6 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 2.75 110.447 178.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.559 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -72.89 -37.34 67.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 1.14 111.164 -177.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.411 ' HG ' HG12 ' A' ' 829' ' ' VAL . 20.9 tp -65.81 -41.82 91.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.654 -0.703 . . . . 1.43 110.674 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.96 62.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.556 . . . . 0.6 110.732 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.22 -46.72 69.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.673 -0.491 . . . . 1.34 109.673 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.658 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -60.02 -44.43 94.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.314 176.552 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.74 -41.81 99.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 1.24 110.74 178.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -64.38 -29.74 75.91 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.52 112.278 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 16.4 m -70.08 -29.69 66.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.7 110.151 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.602 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -69.16 -28.99 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 1.56 110.129 175.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.99 0.67 61.8 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.797 -0.638 . . . . 0.62 112.662 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -93.76 165.15 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.762 0.315 . . . . 1.22 110.908 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -68.27 120.23 14.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.554 . . . . 2.38 110.171 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 109.84 21.91 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.237 -0.438 . . . . 0.94 110.523 -177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.418 ' O ' HD12 ' A' ' 828' ' ' LEU . 4.2 mptt -98.09 110.67 23.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.499 -0.556 . . . . 1.44 109.499 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.9 133.43 37.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.62 112.202 -173.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.853 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -139.1 179.1 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.42 -0.809 . . . . 0.47 109.077 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -140.53 75.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.047 -0.661 . . . . 1.9 112.388 -169.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.721 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 2.3 t70 164.22 -176.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.077 0.86 . . . . 1.45 109.946 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.95 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -97.28 -41.42 3.46 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.407 -1.077 . . . . 0.58 110.407 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.72 -30.98 30.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.95 110.244 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.721 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -60.5 -32.34 71.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.84 110.404 179.284 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -58.99 -40.74 85.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.555 -0.748 . . . . 0.51 110.869 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.764 HD11 HD23 ' A' ' 893' ' ' LEU . 5.3 tp -75.04 -37.03 61.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.258 -0.428 . . . . 1.85 110.601 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.41 -48.2 76.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.163 0.506 . . . . 1.72 110.76 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.92 -30.46 50.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.491 . . . . 0.89 110.243 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 897' ' ' LEU . 0.8 OUTLIER -65.63 -32.79 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 1.66 110.489 173.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 3.1 m -75.46 -15.73 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 0.82 110.311 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -45.95 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 3.46 112.53 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.34 -176.89 3.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 1.86 111.52 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.49 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 3.12 111.428 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.8 mp -79.17 149.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.195 -0.298 . . . . 1.06 110.195 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.79 -45.33 5.5 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.911 0.337 . . . . 1.64 111.911 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.741 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.1 mm -122.4 135.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.023 -0.362 . . . . 1.03 110.023 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 828' ' ' LEU . 46.9 t -122.61 120.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.67 111.561 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -129.93 115.9 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 0.87 109.656 175.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 132.27 54.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.569 0.223 . . . . 0.73 110.63 -176.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.75 ' HA ' HG12 ' A' ' 902' ' ' VAL . 52.7 t0 -101.46 126.81 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.665 -0.698 . . . . 1.34 110.952 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . 0.582 ' HB ' HG22 ' A' ' 903' ' ' THR . 14.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.143 -0.48 . . . . 1.29 110.575 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.862 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.2 p90 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 122.0 0.905 . . . . 2.84 109.729 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.512 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.15 -25.86 65.83 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.048 -0.978 . . . . 3.36 111.731 -168.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.95 HD22 ' HA3' ' A' ' 857' ' ' GLY . 3.6 pp -65.64 -28.64 69.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.376 -0.972 . . . . 2.34 108.376 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.703 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 4.0 m -73.75 -36.09 65.1 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 113.987 -1.46 . . . . 1.28 109.227 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.589 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.4 tm0? -62.85 -48.48 78.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.333 -0.849 . . . . 2.17 110.257 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -59.85 -33.99 72.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.695 -0.684 . . . . 2.36 110.808 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.685 ' HA ' HD13 ' A' ' 861' ' ' LEU . 10.3 mt -61.19 -50.58 79.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 1.71 110.678 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -73.38 -23.39 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.069 0.462 . . . . 2.24 111.157 -178.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -48.54 38.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 2.62 110.431 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . 0.764 HD23 HD11 ' A' ' 861' ' ' LEU . 39.5 tp -73.34 -66.36 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 1.91 110.626 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 163.34 99.6 0.14 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.409 -0.9 . . . . 1.12 112.329 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.3 pt? -92.03 168.32 11.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.058 0.456 . . . . 2.89 110.595 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' ' 897' ' ' LEU . 20.8 m -157.73 -26.71 0.08 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 2.49 110.052 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 864' ' ' LEU . 0.6 OUTLIER -100.79 160.54 26.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.589 -0.732 . . . . 1.4 110.221 -174.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.99 118.04 5.45 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.305 2.003 . . . . 0.73 110.282 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.839 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.0 t -96.86 106.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.64 110.478 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.0 OUTLIER -96.37 107.65 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.568 -0.742 . . . . 0.64 109.767 176.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.78 96.8 2.19 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.501 -0.772 . . . . 0.48 112.273 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 1.024 HG23 ' HB2' ' A' ' 923' ' ' LEU . 0.4 OUTLIER -81.38 119.17 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 1.04 108.317 174.11 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.582 HG22 ' HB ' ' A' ' 876' ' ' VAL . 2.1 p -143.11 163.42 32.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.801 -0.562 . . . . 0.89 111.955 -169.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.57 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.92 -0.582 . . . . 1.19 110.747 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 67.28 29.07 7.78 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.219 0.822 . . . . 2.7 113.219 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.932 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -93.86 -9.3 37.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.584 -0.446 . . . . 2.81 110.944 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 0.4 OUTLIER 77.32 -44.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.643 0.777 . . . . 3.93 112.187 173.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -140.75 56.81 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.969 0.414 . . . . 2.09 110.324 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.932 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 53.4 mp0 -55.42 -49.11 73.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.805 -0.634 . . . . 3.31 111.312 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -33.37 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.578 -0.737 . . . . 3.58 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -38.13 72.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.817 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.862 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.2 mp0 -74.42 -29.57 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.755 -0.778 . . . . 2.65 109.721 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.577 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 6.4 ttp85 -59.58 -41.53 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.031 -0.531 . . . . 4.05 109.901 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 63.8 m -73.1 -40.26 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 1.65 111.449 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.423 ' HB3' ' OE2' ' A' ' 916' ' ' GLU . 1.3 mm? -70.98 -51.5 25.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.881 0.372 . . . . 1.88 111.739 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.713 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 4.5 mm-40 -77.41 -24.04 50.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.971 0.415 . . . . 3.47 110.49 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.41 51.91 15.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.409 1.263 . . . . 1.35 114.409 167.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.604 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.22 25.67 2.49 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.267 -0.968 . . . . 1.02 112.073 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.839 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.8 ttt -108.12 -118.8 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.936 0.398 . . . . 2.01 111.5 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.0 t70 168.16 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.945 -1.025 . . . . 1.26 108.448 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 900' ' ' ILE . 15.3 m -143.82 163.77 32.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.223 -0.899 . . . . 1.26 109.982 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.577 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 35.9 m -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.665 0.269 . . . . 1.13 110.498 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 1.024 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.7 OUTLIER -137.69 -176.22 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.69 110.023 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.28 137.98 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.678 -0.237 . . . . 0.89 110.532 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.614 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 18.1 tttp -39.73 -50.19 5.45 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 113.622 0.971 . . . . 1.11 113.622 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 15.7 Cg_exo -70.8 67.05 2.37 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.196 1.931 . . . . 1.01 113.078 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.94 126.42 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.552 -0.294 . . . . 1.36 110.65 175.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 175.87 7.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.508 -0.315 . . . . 0.92 111.053 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.7 OUTLIER -58.76 -45.85 88.81 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.186 -0.461 . . . . 0.92 111.121 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -44.68 87.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 1.85 110.793 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.6 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.93 110.924 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.3 tt -63.26 -34.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.485 -0.325 . . . . 1.18 110.614 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -31.83 70.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.783 -0.19 . . . . 1.9 110.879 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -61.39 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 2.25 110.061 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.48 93.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.581 . . . . 0.62 111.889 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -58.34 -65.3 0.67 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.238 -0.437 . . . . 0.86 111.189 -178.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 1.6 m -64.02 -34.0 77.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.606 -0.725 . . . . 0.87 112.146 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -49.89 65.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.068 0.461 . . . . 1.42 110.98 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' ' 943' ' ' VAL . 9.4 m-85 -74.03 -30.67 62.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 1.59 110.924 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.68 87.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.61 110.838 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -69.69 -31.02 68.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.415 -0.357 . . . . 1.87 110.375 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.775 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 2.2 mtt85 -66.35 -48.01 71.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 3.11 110.808 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 939' ' ' TYR . 13.3 m -71.51 -30.26 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.732 0.301 . . . . 0.75 110.256 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -50.44 71.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 3.58 110.947 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.775 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.4 OUTLIER -70.22 -35.41 73.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.927 -0.309 . . . . 2.78 111.003 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.8 m -69.76 -20.89 63.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.846 0.355 . . . . 1.34 111.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.94 0.4 . . . . 3.53 110.437 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.193 0.52 . . . . 1.9 111.513 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.456 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.4 OUTLIER -109.75 121.5 45.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 1.93 110.212 179.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 3.3 mm -114.52 141.12 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.979 -0.555 . . . . 0.47 109.716 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.421 HD23 HG13 ' A' ' 872' ' ' VAL . 8.4 tp -104.81 112.45 25.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.975 0.416 . . . . 1.37 110.787 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 1.5 m -98.43 107.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.728 . . . . 1.06 110.321 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.885 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 27.1 t -105.19 142.72 17.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.621 -0.718 . . . . 1.07 109.825 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.57 139.88 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.102 0.251 . . . . 1.3 110.346 173.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -89.33 -6.9 56.31 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.485 0.55 . . . . 2.03 112.485 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' A' ' 831' ' ' ASP . 3.6 t-80 -114.92 93.76 35.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 121.986 -0.446 . . . . 2.12 110.853 -176.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -32.61 -50.73 0.37 Allowed 'Trans proline' 0 N--CA 1.482 0.805 0 C-N-CA 125.068 3.845 . . . . 1.12 116.241 -168.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.402 ' H ' HG22 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.0 -40.01 74.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.377 0.608 . . . . 2.26 111.079 -178.093 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.503 ' CG ' ' HE3' ' A' ' 925' ' ' LYS . 12.0 m120 -73.23 -31.22 64.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.637 -0.711 . . . . 1.83 110.324 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.18 -51.03 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 2.78 110.718 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.55 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.01 -48.07 76.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 2.75 110.451 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.55 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.61 -30.83 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.14 111.739 -173.364 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.62 -44.26 67.6 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 1.43 109.976 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.92 68.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.6 110.223 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.25 -53.44 52.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 1.34 109.818 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.645 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.77 -41.95 87.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.59 -0.732 . . . . 1.85 110.745 177.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.56 -42.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.736 -0.666 . . . . 1.24 110.473 178.044 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.12 -35.85 89.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.743 -0.662 . . . . 0.52 112.447 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.5 m -67.34 -28.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.67 0.271 . . . . 0.7 111.025 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.59 ' HG ' HD23 ' A' ' 936' ' ' LEU . 0.7 OUTLIER -65.83 -36.21 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 1.56 110.363 176.062 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.62 5.04 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.78 -0.724 . . . . 0.62 112.56 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -123.13 155.01 37.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.319 -0.252 . . . . 1.22 110.319 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.73 132.19 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.622 0.249 . . . . 2.38 110.593 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.0 100.3 9.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.173 -0.467 . . . . 0.94 111.11 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -89.29 120.89 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.074 -0.713 . . . . 1.44 109.074 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.66 144.14 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.5 0.555 . . . . 0.62 112.5 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.864 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.38 163.07 40.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.581 -0.736 . . . . 0.47 109.256 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 4.7 p30 -142.46 72.87 1.39 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.025 -0.67 . . . . 1.9 112.442 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 9.0 t0 163.92 156.17 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.102 -0.954 . . . . 1.45 109.626 172.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.42 -46.81 74.9 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.386 -0.912 . . . . 0.58 111.337 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -67.24 -30.76 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.626 0.25 . . . . 0.95 111.19 176.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -62.22 -35.97 80.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.979 0.418 . . . . 0.84 110.407 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -59.73 -48.19 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.692 -0.685 . . . . 0.51 111.686 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 0.9 OUTLIER -74.68 -29.6 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 1.85 110.553 179.615 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . 0.453 ' O ' ' HE2' ' A' ' 866' ' ' LYS . 8.8 t-20 -60.92 -52.72 63.85 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.139 -0.482 . . . . 1.72 110.85 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.84 -30.95 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.443 . . . . 0.89 110.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -61.49 -35.28 77.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 1.66 111.0 176.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -29.8 66.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.151 0.5 . . . . 0.82 110.058 176.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 862' ' ' ASN . 0.2 OUTLIER -72.27 -53.63 11.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 3.46 111.099 178.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -144.26 156.93 44.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.117 -0.492 . . . . 1.86 110.202 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 137.32 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.257 0.551 . . . . 3.12 111.308 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.72 146.4 30.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.37 -0.974 . . . . 1.06 108.37 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.32 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 1.64 111.285 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.37 137.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 1.03 109.902 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 897' ' ' LEU . 11.3 t -111.79 123.19 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.696 0.284 . . . . 0.67 110.737 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.804 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -119.97 109.92 16.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.439 -0.578 . . . . 0.87 109.439 175.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.885 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -111.91 117.0 31.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.753 0.311 . . . . 0.73 110.987 -177.599 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 14.1 t0 -85.72 106.1 16.73 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.557 0.694 . . . . 1.34 110.481 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 114.642 -1.163 . . . . 1.29 109.428 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.793 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 6.2 p90 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 122.239 1.019 . . . . 2.84 110.963 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.08 -26.63 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.111 -1.404 . . . . 3.36 110.994 -173.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.701 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -66.75 -31.2 71.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.006 -0.543 . . . . 2.34 109.927 -174.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.812 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.4 OUTLIER -77.69 -27.58 50.77 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.735 -0.839 . . . . 1.28 108.735 177.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 4.5 tm0? -62.32 -45.06 94.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.324 0.583 . . . . 2.17 109.748 170.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -28.84 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.603 -0.726 . . . . 2.36 110.609 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 887' ' ' THR . 97.3 mt -68.83 -39.88 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.44 -0.345 . . . . 1.71 110.455 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.45 60.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.937 0.398 . . . . 2.24 110.304 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -71.73 -41.29 68.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.287 0.565 . . . . 2.62 110.018 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -40.65 84.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.449 -0.796 . . . . 1.91 110.584 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.97 75.84 1.2 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.882 -0.675 . . . . 1.12 111.523 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -61.4 131.97 51.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 2.89 111.529 -177.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.31 12.79 27.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.321 0.581 . . . . 2.49 109.95 176.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 864' ' ' LEU . 0.5 OUTLIER -156.4 155.12 28.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.331 -0.849 . . . . 1.4 109.7 -174.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.429 ' HB2' ' HE1' ' A' ' 939' ' ' TYR . 17.3 Cg_exo -68.04 136.93 39.48 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 122.893 2.395 . . . . 0.73 112.786 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.864 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 20.7 t -112.44 125.23 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.865 -0.607 . . . . 0.64 110.624 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.804 HD12 HD23 ' A' ' 873' ' ' LEU . 0.3 OUTLIER -108.67 112.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.68 -0.489 . . . . 0.64 109.68 176.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . 0.418 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -90.87 112.36 4.1 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.776 -0.726 . . . . 0.48 112.214 -177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -84.44 109.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.997 -0.742 . . . . 1.04 108.997 178.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 66.8 p -116.23 164.14 14.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.12 0.486 . . . . 0.89 111.577 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.69 102.9 4.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.868 -0.605 . . . . 1.19 110.732 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.4 t30 47.22 60.82 3.21 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.948 0.78 . . . . 2.7 112.688 173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -97.73 45.31 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 2.81 110.057 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.3 mt 67.53 -77.54 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.21 -0.905 . . . . 3.93 111.325 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -142.01 52.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.226 0.536 . . . . 2.09 110.054 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 14.3 pm0 -63.69 -27.5 69.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.668 -0.696 . . . . 3.31 112.013 -174.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 909' ' ' GLU . 4.3 tp10 -62.01 -46.16 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.481 . . . . 3.58 109.74 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -38.01 77.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.005 -0.543 . . . . 2.29 110.739 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.793 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -70.47 -31.18 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.519 -0.472 . . . . 2.65 110.317 -178.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.441 ' HG3' ' SD ' ' A' ' 919' ' ' MET . 3.3 tmm_? -62.24 -41.56 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.777 -0.453 . . . . 4.05 109.777 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 37.9 m -65.92 -31.56 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.798 -0.637 . . . . 1.65 110.51 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.28 -52.16 17.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.255 -0.43 . . . . 1.88 111.5 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.812 ' HB2' HG22 ' A' ' 887' ' ' THR . 13.4 mm-40 -72.43 -24.58 61.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.364 -0.38 . . . . 3.47 111.524 -175.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 6.4 m 50.85 52.23 15.37 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.147 1.166 . . . . 1.35 114.147 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -140.32 25.93 2.59 Favored Glycine 0 C--N 1.319 -0.41 0 C-N-CA 120.359 -0.924 . . . . 1.02 112.769 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.864 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.4 ttm -117.0 -117.98 0.32 Allowed 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.717 -0.284 . . . . 2.01 111.096 -176.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.1 t70 171.7 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.544 -0.91 . . . . 1.26 108.544 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 900' ' ' ILE . 14.6 m -145.07 163.39 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.091 -0.959 . . . . 1.26 110.173 177.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 145.47 43.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 1.13 110.285 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 71.5 mt -130.52 178.07 6.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.489 . . . . 0.69 109.976 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.7 OUTLIER -115.33 136.4 53.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.489 -0.323 . . . . 0.89 110.263 178.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 836' ' ' ASN . 15.5 tttp -46.21 -50.29 38.57 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 112.898 0.703 . . . . 1.11 112.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.6 Cg_endo -72.64 63.6 3.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 121.891 1.727 . . . . 1.01 112.914 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -85.26 134.55 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.454 . . . . 1.36 110.397 178.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 171.36 8.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.464 . . . . 0.92 111.217 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.645 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -61.03 -47.51 86.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.29 -0.414 . . . . 0.92 111.401 -177.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.97 -34.72 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.672 -0.411 . . . . 1.85 110.652 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.85 -47.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.93 110.421 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 929' ' ' LEU . 3.9 tt -64.96 -28.23 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-O 120.78 0.324 . . . . 1.18 110.572 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -48.36 73.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 1.9 111.119 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.465 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -63.27 -49.63 73.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 2.25 110.664 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.2 m -62.65 -44.5 96.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.62 111.63 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.59 HD23 ' HG ' ' A' ' 847' ' ' LEU . 9.4 tp -69.25 -38.53 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.671 -0.24 . . . . 0.86 111.365 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 94.7 m -66.82 -44.74 80.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.68 0.276 . . . . 0.87 110.774 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -45.27 90.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 1.42 110.523 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.429 ' HE1' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.53 -46.03 81.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.885 -0.598 . . . . 1.59 111.245 -178.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.97 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.61 111.183 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.1 OUTLIER -64.82 -48.68 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 1.87 110.282 178.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 9.2 ptt85 -69.11 -34.02 74.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.068 -0.514 . . . . 3.11 111.766 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 33.4 m -75.79 -32.5 24.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.932 0.396 . . . . 0.75 110.404 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -50.33 72.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.097 -0.501 . . . . 3.58 109.948 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -77.26 -15.67 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 2.78 111.417 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 4.0 m -64.81 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.24 -0.184 . . . . 1.34 110.934 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.294 0 C-N-CA 120.588 -0.445 . . . . 3.53 110.949 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.236 0.379 0 CA-C-O 121.091 0.472 . . . . 1.9 111.555 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 869' ' ' ILE . 11.4 ttp -118.28 123.71 46.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.723 -0.671 . . . . 1.93 110.142 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.633 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.7 mm -118.08 146.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 0.47 110.727 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.6 OUTLIER -100.29 115.7 30.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 1.37 110.675 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.515 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -102.18 106.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.492 0.663 . . . . 1.06 109.783 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 15.5 t -120.48 133.5 66.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.836 -0.62 . . . . 1.07 111.697 -173.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -151.77 131.45 13.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.472 -0.936 . . . . 1.3 108.472 167.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -36.51 69.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.098 0.475 . . . . 2.03 110.372 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.34 163.33 20.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 2.12 109.933 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.76 -20.71 7.61 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 121.822 1.681 . . . . 1.12 113.663 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -70.27 -49.13 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 112.231 0.456 . . . . 2.26 112.231 -172.462 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.469 ' HB2' ' HE3' ' A' ' 925' ' ' LYS . 5.1 t30 -83.47 -21.88 32.74 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.626 -0.509 . . . . 1.83 109.626 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -63.73 -50.98 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.843 -0.617 . . . . 2.78 110.4 174.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -65.6 -33.86 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 2.75 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -51.49 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 1.14 111.229 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -68.92 -30.92 69.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 1.43 111.074 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.9 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.237 -0.283 . . . . 0.6 110.237 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -70.6 -37.09 73.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 1.34 109.857 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.668 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.4 OUTLIER -59.55 -46.52 88.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.51 -0.768 . . . . 1.85 110.1 175.109 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.633 HD21 ' HB ' ' A' ' 827' ' ' ILE . 22.4 tp -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.24 110.657 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.89 -33.34 86.79 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.374 -0.69 . . . . 0.52 111.374 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 2.0 m -70.1 -30.74 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.921 -0.399 . . . . 0.7 109.921 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -35.15 79.41 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.991 -0.55 . . . . 1.56 110.011 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.89 24.71 40.56 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.715 -0.675 . . . . 0.62 112.07 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -108.32 170.47 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.254 . . . . 1.22 110.964 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 5.3 tp-100 -66.23 122.75 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 2.38 110.492 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.4 m -102.91 108.08 19.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.833 0.349 . . . . 0.94 111.065 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -96.73 116.47 29.19 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.377 -0.601 . . . . 1.44 109.377 175.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 137.55 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.378 0.51 . . . . 0.62 112.378 -173.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.49 166.66 29.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 0.47 109.057 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.2 p-10 -143.8 72.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.233 -0.587 . . . . 1.9 112.049 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.968 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 42.3 t0 163.45 156.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 114.762 -1.108 . . . . 1.45 109.022 173.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.604 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -68.5 -43.62 76.55 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.366 -0.921 . . . . 0.58 111.275 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.751 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.63 -28.98 25.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.765 0.317 . . . . 0.95 110.552 178.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.968 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.4 t0 -53.85 -39.71 65.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.928 0.394 . . . . 0.84 110.57 174.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -60.3 -34.72 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.51 111.015 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 858' ' ' VAL . 6.6 mp -66.98 -45.98 76.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 1.85 110.38 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.09 -46.51 83.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.035 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.509 HG11 HD21 ' A' ' 828' ' ' LEU . 2.2 t -62.33 -37.59 79.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.967 -1.015 . . . . 0.89 110.501 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -68.36 -36.31 79.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 1.66 111.157 178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 18.6 m -67.33 -27.84 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.82 111.118 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 0.2 OUTLIER -88.56 -54.0 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.876 177.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 1.86 110.268 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -88.82 129.74 35.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 3.12 110.541 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 826' ' ' MET . 1.0 OUTLIER -121.64 144.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.33 -0.618 . . . . 1.06 109.33 -179.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.68 -60.07 3.79 Favored 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.295 0.372 . . . . 1.64 111.242 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 140.35 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 1.03 110.288 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.484 HG23 HD11 ' A' ' 897' ' ' LEU . 55.9 t -114.75 124.63 71.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 121.06 -0.256 . . . . 0.67 111.39 -176.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.48 109.53 19.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.401 -0.592 . . . . 0.87 109.401 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.873 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -118.98 118.57 31.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.753 0.311 . . . . 0.73 111.364 -176.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -93.09 118.64 31.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.944 -0.571 . . . . 1.34 110.421 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.501 -0.772 . . . . 1.29 110.597 -179.023 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 1.055 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 5.2 p90 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.586 0.708 . . . . 2.84 112.603 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.52 ' C ' ' HD2' ' A' ' 885' ' ' ARG . 0.6 OUTLIER -55.51 -29.62 59.19 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 113.255 0.835 . . . . 3.36 113.255 -156.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.604 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -70.29 -33.32 71.41 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.884 1.326 . . . . 2.34 108.359 -169.053 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -75.82 -26.67 57.43 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.237 -1.801 . . . . 1.28 109.984 177.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.09 -35.53 80.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.515 -0.55 . . . . 2.17 109.515 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.49 99.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.659 -0.701 . . . . 2.36 109.716 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 895' ' ' LEU . 97.3 mt -55.71 -47.37 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.211 -0.45 . . . . 1.71 110.656 173.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -59.53 -43.32 93.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 2.24 111.338 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 6.1 mm100 -66.78 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 2.62 111.026 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -73.56 -37.07 65.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 1.91 110.15 176.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.12 27.65 15.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.957 -0.639 . . . . 1.12 112.663 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 890' ' ' ILE . 0.1 OUTLIER -83.52 115.69 22.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.691 0.281 . . . . 2.89 110.488 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -81.65 51.44 1.69 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.193 0.997 . . . . 2.49 110.534 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.484 HD11 HG23 ' A' ' 872' ' ' VAL . 2.6 tp -96.99 130.49 29.83 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.33 -0.85 . . . . 1.4 110.426 -176.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD2' HD12 ' A' ' 897' ' ' LEU . 51.6 Cg_endo -71.34 106.87 2.02 Favored 'Trans proline' 0 C--O 1.242 0.701 0 C-N-CA 122.748 2.299 . . . . 0.73 112.107 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.6 t -106.66 116.56 50.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.52 0.676 . . . . 0.64 111.442 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 923' ' ' LEU . 53.6 mt -88.91 98.28 7.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.175 -0.921 . . . . 0.64 108.552 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.41 7.07 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.599 -0.81 . . . . 0.48 113.414 -171.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 923' ' ' LEU . 0.1 OUTLIER -101.99 146.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.252 -1.018 . . . . 1.04 108.252 173.327 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 143.77 31.06 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.398 -0.521 . . . . 0.89 111.749 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -99.61 105.5 17.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.097 -0.501 . . . . 1.19 110.948 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 51.75 51.22 17.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.749 0.656 . . . . 2.7 112.133 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -97.64 97.54 9.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 2.81 109.663 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.38 144.91 44.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.43 -0.35 . . . . 3.93 111.249 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.64 32.23 16.39 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.746 -0.661 . . . . 2.09 111.793 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.4 OUTLIER -72.43 -18.1 61.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.123 -0.49 . . . . 3.31 111.342 -178.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -52.68 64.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 3.58 110.121 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . 0.403 ' HE2' HD12 ' A' ' 915' ' ' LEU . 2.9 tttt -67.01 -37.48 84.26 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.01 -0.541 . . . . 2.29 110.625 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 1.055 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.6 mp0 -67.84 -29.33 68.44 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.239 -0.584 . . . . 2.65 109.981 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.482 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -65.41 -38.01 88.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 4.05 111.002 177.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.44 -32.94 73.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.638 -0.504 . . . . 1.65 109.638 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.03 -48.26 53.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.708 -0.678 . . . . 1.88 112.15 -179.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 1.031 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -75.7 -45.51 36.4 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 119.528 -0.869 . . . . 3.47 109.749 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.6 m 53.18 51.17 16.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.479 -0.782 . . . . 1.35 112.917 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -136.4 -12.35 1.08 Allowed Glycine 0 C--N 1.32 -0.356 0 C-N-CA 119.817 -1.182 . . . . 1.02 113.181 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 mtt -83.34 -113.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.79 0.295 . . . . 2.01 110.93 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.668 ' HB2' ' O ' ' A' ' 919' ' ' MET . 3.6 t70 156.77 -57.65 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.629 1.171 . . . . 1.26 109.029 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.482 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.3 OUTLIER -102.69 147.83 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.095 -178.508 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 117.92 22.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 1.13 110.446 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.684 HD11 HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -135.23 172.96 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.69 109.968 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.83 155.75 23.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.534 -0.303 . . . . 0.89 110.36 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 836' ' ' ASN . 1.5 tttp -44.84 -48.93 29.21 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.038 0.755 . . . . 1.11 113.038 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 34.9 Cg_endo -65.4 67.03 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.193 1.929 . . . . 1.01 112.856 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.26 164.46 2.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 1.36 110.348 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.8 169.44 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.635 -0.257 . . . . 0.92 110.523 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.668 HD23 ' HG2' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -61.33 -47.2 87.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.27 0.228 . . . . 0.92 111.423 -176.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -65.91 -42.21 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.039 0.447 . . . . 1.85 109.964 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.92 -47.45 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.713 -0.676 . . . . 0.93 111.0 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.8 OUTLIER -68.13 -31.86 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 1.18 110.772 -178.411 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 2.9 tmmt? -67.99 -36.29 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 1.9 110.212 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -61.53 -55.26 32.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.325 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.06 96.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.646 -0.252 . . . . 0.62 111.199 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -55.06 -56.5 19.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.033 0.444 . . . . 0.86 110.895 178.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.5 m -70.05 -38.77 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.673 -0.694 . . . . 0.87 112.069 -174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -40.48 89.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 1.42 110.963 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.56 -25.79 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.547 -0.297 . . . . 1.59 110.353 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.06 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.61 110.339 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.9 -32.55 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 1.87 109.904 176.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.3 OUTLIER -68.99 -47.6 65.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.936 -0.575 . . . . 3.11 110.727 -178.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 947' ' ' ARG . 28.8 m -70.28 -30.1 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.91 -0.316 . . . . 0.75 110.262 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.28 -47.18 85.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 3.58 110.196 174.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 12.7 mttp -62.44 -33.69 75.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.232 0.539 . . . . 2.78 110.501 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.3 m -68.27 -34.19 75.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.803 -0.635 . . . . 1.34 110.989 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 943' ' ' VAL . 25.0 mtm180 . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.013 0.435 . . . . 3.53 110.452 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 1.9 111.063 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.3 ptp -95.94 109.6 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.637 -0.711 . . . . 1.93 110.438 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.2 mm -106.1 145.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.615 -0.72 . . . . 0.47 110.326 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.909 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.4 tp -100.99 107.49 18.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.89 0.376 . . . . 1.37 110.756 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.9 m -94.08 101.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.493 0.664 . . . . 1.06 109.756 177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.0 t -110.65 143.25 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.736 -0.666 . . . . 1.07 110.788 -176.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -153.06 147.09 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.827 -0.805 . . . . 1.3 108.827 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -20.9 66.57 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.443 0.465 . . . . 2.03 111.684 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 834' ' ' PRO . 0.1 OUTLIER -131.54 -177.27 0.66 Allowed Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 109.763 -0.458 . . . . 2.12 109.763 175.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 4.6 Cg_exo -82.08 -28.44 2.0 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.064 1.843 . . . . 1.12 113.815 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.56 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.4 OUTLIER -62.94 -48.04 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 113.069 0.766 . . . . 2.26 113.069 -170.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -83.01 -22.84 33.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.027 -0.669 . . . . 1.83 109.734 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -58.65 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.595 -0.73 . . . . 2.78 110.145 172.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -69.87 -29.75 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 2.75 110.935 -179.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -45.94 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 1.14 111.146 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -73.43 -32.26 64.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.685 0.279 . . . . 1.43 110.453 -178.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -27.09 63.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.148 0.499 . . . . 0.6 109.915 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 18.7 t0 -64.66 -46.33 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 1.34 109.843 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.623 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -62.86 -38.45 90.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.444 -0.798 . . . . 1.85 110.716 177.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 851' ' ' CYS . 8.4 tp -65.92 -31.38 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 1.24 110.374 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.33 -35.76 92.49 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.911 -0.586 . . . . 0.52 112.063 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -36.05 79.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 0.7 110.076 174.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.87 -48.72 73.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 1.56 110.337 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.55 36.77 3.43 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.62 112.558 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -124.54 158.11 33.73 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.77 -0.253 . . . . 1.22 110.839 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.5 125.42 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 2.38 110.941 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.571 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -114.42 117.22 30.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.043 -0.526 . . . . 0.94 110.912 -177.333 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.0 OUTLIER -102.1 118.62 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.403 -0.592 . . . . 1.44 109.403 174.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.83 112.92 24.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.057 0.456 . . . . 0.62 112.207 -171.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.5 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -117.96 157.56 26.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.47 109.941 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.647 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.1 t-20 -131.43 71.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.48 -0.488 . . . . 1.9 112.062 -172.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.9 t70 160.04 162.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.557 1.143 . . . . 1.45 109.344 168.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.03 -40.34 83.9 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.673 -0.971 . . . . 0.58 110.673 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.519 HG22 ' OD1' ' A' ' 856' ' ' ASP . 20.4 m -74.01 -29.2 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.95 110.538 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.578 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 12.7 t0 -60.79 -31.29 70.67 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.84 110.862 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.24 85.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.51 110.295 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 890' ' ' ILE . 9.4 mp -71.14 -38.48 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 1.85 110.319 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -50.03 72.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.476 -0.784 . . . . 1.72 110.229 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.456 HG11 HD11 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -67.58 -35.83 74.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.89 110.562 -179.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 897' ' ' LEU . 0.5 OUTLIER -63.99 -32.88 74.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.908 0.385 . . . . 1.66 110.731 178.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 71.5 m -68.36 -36.67 79.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.82 110.294 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -69.99 -46.44 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.811 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -144.91 135.7 24.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.231 -0.44 . . . . 1.86 110.341 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.95 97.27 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 3.12 111.118 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.909 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.8 OUTLIER -77.54 148.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 1.06 109.757 175.458 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.27 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 1.64 111.193 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 4.3 mt -124.98 140.91 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.398 . . . . 1.03 110.383 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.734 HG23 HD11 ' A' ' 897' ' ' LEU . 77.9 t -113.99 131.61 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.564 0.221 . . . . 0.67 111.305 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -122.11 98.58 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.002 -0.74 . . . . 0.87 109.002 172.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -103.39 98.96 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.336 -0.393 . . . . 0.73 111.595 -176.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.696 ' HA ' HG22 ' A' ' 902' ' ' VAL . 44.9 t0 -71.39 117.03 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 1.34 110.374 170.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-O 121.193 0.52 . . . . 1.29 110.892 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.792 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.6 p90 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 122.554 1.169 . . . . 2.84 109.127 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.434 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.96 -24.61 66.22 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.671 -1.15 . . . . 3.36 112.738 -161.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -69.97 -37.17 75.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.009 0.909 . . . . 2.34 108.68 -171.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.545 ' HB ' ' CG ' ' A' ' 916' ' ' GLU . 21.5 m -71.85 -27.43 62.88 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.407 -1.269 . . . . 1.28 110.521 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 1.9 tt0 -58.1 -39.25 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.527 0.68 . . . . 2.17 109.774 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.27 -36.51 84.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.23 -0.895 . . . . 2.36 110.317 174.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 861' ' ' LEU . 71.5 mt -57.26 -50.53 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.52 -0.309 . . . . 1.71 111.389 177.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -71.02 -28.1 64.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.714 0.292 . . . . 2.24 111.223 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.446 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -74.0 -27.82 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.039 0.447 . . . . 2.62 110.514 178.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 53.2 tp -78.31 -21.99 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.941 -0.572 . . . . 1.91 109.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 77.76 58.67 3.2 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.009 -0.615 . . . . 1.12 112.589 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.5 147.3 23.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.074 -0.343 . . . . 2.89 110.074 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 2.6 t -111.84 10.2 20.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.379 0.609 . . . . 2.49 110.833 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 872' ' ' VAL . 0.0 OUTLIER -89.0 152.14 47.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.824 -0.625 . . . . 1.4 110.424 -177.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 6.8 Cg_exo -74.64 118.87 5.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 123.018 2.479 . . . . 0.73 111.934 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.827 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 2.9 t -109.77 129.99 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 121.72 0.771 . . . . 0.64 111.365 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.92 HD12 HD23 ' A' ' 873' ' ' LEU . 0.4 OUTLIER -114.46 134.05 58.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.395 -0.821 . . . . 0.64 108.983 173.362 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -123.86 101.41 0.68 Allowed Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.677 -0.969 . . . . 0.48 110.677 -171.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' A' ' 875' ' ' ASP . 0.4 OUTLIER -87.15 131.49 34.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.763 -0.829 . . . . 1.04 108.763 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 2.6 p -132.43 167.58 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.697 0.284 . . . . 0.89 111.033 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -128.9 123.18 31.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.19 111.356 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 36.0 t30 57.53 40.71 26.78 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.797 -0.638 . . . . 2.7 111.356 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -94.13 -33.74 13.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.179 -0.464 . . . . 2.81 110.271 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.46 -62.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.388 -0.824 . . . . 3.93 111.285 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . -90.77 55.78 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.45 0.643 . . . . 2.09 110.44 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.8 -35.94 79.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.596 -0.729 . . . . 3.31 110.562 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -26.27 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.482 -0.562 . . . . 3.58 109.482 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . 0.559 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -70.18 -32.17 69.98 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.78 -0.646 . . . . 2.29 110.473 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -67.19 -42.77 83.63 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 119.141 -1.024 . . . . 2.65 108.879 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -52.65 -36.86 57.56 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.368 0.418 . . . . 4.05 111.17 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 69.4 m -76.06 -34.76 59.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.728 0.299 . . . . 1.65 111.182 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 1.2 tp -71.35 -52.94 15.95 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.136 0.421 . . . . 1.88 112.136 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.08 -43.34 24.34 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.6 0.238 . . . . 3.47 110.634 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 14.5 m 53.24 51.54 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.963 0.727 . . . . 1.35 112.963 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -141.83 11.43 2.63 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.051 -1.071 . . . . 1.02 112.3 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.827 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.1 OUTLIER -99.76 -104.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.607 0.241 . . . . 2.01 110.962 -175.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 919' ' ' MET . 41.1 t0 162.03 -55.11 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.634 1.174 . . . . 1.26 108.218 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 900' ' ' ILE . 2.6 m -141.87 152.56 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.627 -0.715 . . . . 1.26 110.781 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 142.89 47.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.348 -0.387 . . . . 1.13 110.489 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 902' ' ' VAL . 1.7 mt -125.38 -175.41 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.357 . . . . 0.69 110.069 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 2.3 m -108.23 152.25 24.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.945 -0.571 . . . . 0.89 109.482 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.687 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 15.8 tttp -43.79 -60.96 2.21 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 113.778 1.029 . . . . 1.11 113.778 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 1.8 Cg_endo -83.23 70.78 6.45 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.942 1.761 . . . . 1.01 112.845 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 931' ' ' VAL . 2.1 t -68.73 110.58 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 1.36 110.34 172.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.67 178.72 7.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.606 -0.27 . . . . 0.92 111.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.2 -42.72 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.92 111.562 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -56.05 22.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.585 -0.28 . . . . 1.85 110.861 -177.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . 0.411 ' HB ' ' CG1' ' A' ' 927' ' ' VAL . 0.0 OUTLIER -61.54 -36.44 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.669 -0.241 . . . . 0.93 111.316 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.623 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -64.41 -39.57 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.619 0.247 . . . . 1.18 110.409 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.18 79.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.277 -0.268 . . . . 1.9 110.277 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -58.88 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 2.25 110.615 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -69.39 -41.99 75.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.693 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -63.7 -47.14 82.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.436 0.16 . . . . 0.86 110.967 -178.241 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.6 m -65.79 -43.56 88.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.534 -0.303 . . . . 0.87 111.223 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.3 86.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 1.42 111.132 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.67 -34.64 52.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.5 -0.318 . . . . 1.59 111.212 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.56 -46.76 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.61 110.671 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.8 OUTLIER -68.36 -33.21 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.339 -0.391 . . . . 1.87 110.308 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -65.06 -48.68 72.94 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.448 -0.342 . . . . 3.11 110.868 -179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 20.1 m -67.61 -30.53 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.731 -0.388 . . . . 0.75 110.664 -176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -67.77 -50.85 54.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.395 . . . . 3.58 110.965 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.4 OUTLIER -76.01 -25.19 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.868 0.322 . . . . 2.78 111.868 -175.707 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 7.8 m -82.9 -17.88 42.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 1.34 110.403 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 3.53 110.102 175.306 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.874 0.368 . . . . 1.9 110.242 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -92.85 111.79 23.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.815 178.064 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.5 140.45 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.981 -0.554 . . . . 0.47 110.235 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.552 HD11 HG13 ' A' ' 863' ' ' VAL . 3.0 mt -94.21 103.75 15.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 1.37 109.869 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 1.02 ' HB ' HD13 ' A' ' 840' ' ' LEU . 2.4 m -97.93 94.79 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.385 -0.825 . . . . 1.06 109.635 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 854' ' ' ALA . 6.0 t -103.06 143.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.401 -0.818 . . . . 1.07 110.094 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -158.9 143.87 16.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.611 -0.514 . . . . 1.3 109.611 175.138 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . 0.539 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -90.24 -21.18 22.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.033 0.383 . . . . 2.03 112.033 -176.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.34 92.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 2.12 109.795 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.618 ' HA ' ' HB2' ' A' ' 837' ' ' ARG . 96.2 Cg_exo -44.23 -22.61 0.56 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 125.001 3.8 . . . . 1.12 116.16 -165.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.597 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -56.69 -37.63 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.269 0.557 . . . . 2.26 110.211 176.139 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.99 -36.26 30.94 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.731 -0.388 . . . . 1.83 110.044 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.758 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 2.3 ttp180 -54.21 -44.17 71.4 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.369 0.418 . . . . 2.78 111.375 176.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.23 -33.36 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 2.75 110.456 178.293 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.67 -50.35 69.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.217 -0.447 . . . . 1.14 111.046 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 1.02 HD13 ' HB ' ' A' ' 829' ' ' VAL . 1.5 pp -69.23 -26.96 65.06 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 110.378 -0.231 . . . . 1.43 110.378 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.15 87.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.602 0.715 . . . . 0.6 109.399 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.09 -49.14 20.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.857 -1.065 . . . . 1.34 110.947 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -52.34 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 1.85 111.682 -176.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -38.62 88.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.025 0.44 . . . . 1.24 110.251 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -59.41 -34.81 82.53 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.743 -0.662 . . . . 0.52 112.72 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 34.4 m -70.94 -25.82 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.962 0.411 . . . . 0.7 110.507 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.542 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -72.06 -17.87 61.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 1.56 110.421 176.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.0 9.6 80.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.849 -0.614 . . . . 0.62 112.656 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.38 160.41 14.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.814 0.34 . . . . 1.22 111.194 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.486 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 30.6 mt-30 -74.02 110.15 8.09 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.126 -0.488 . . . . 2.38 110.222 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 109.59 20.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.498 -0.319 . . . . 0.94 110.596 -179.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.482 ' HE2' ' HB3' ' A' ' 826' ' ' MET . 2.5 mptt -101.38 109.49 21.33 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.673 -0.862 . . . . 1.44 108.673 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -89.61 133.76 34.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.132 0.491 . . . . 0.62 111.764 -171.55 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -139.51 172.45 12.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.605 -0.725 . . . . 0.47 109.763 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 38.0 t30 -149.33 74.5 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.001 -0.28 . . . . 1.9 111.207 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 0.7 OUTLIER 161.38 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.275 0.984 . . . . 1.45 109.471 169.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -71.78 -40.15 58.64 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.302 -0.951 . . . . 0.58 111.06 172.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.47 ' HA ' HD23 ' A' ' 861' ' ' LEU . 27.0 m -73.93 -29.33 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.709 0.29 . . . . 0.95 110.742 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.63 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 36.9 t0 -56.27 -36.44 68.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.305 -0.407 . . . . 0.84 110.26 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.32 90.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.645 -0.707 . . . . 0.51 110.892 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 890' ' ' ILE . 1.7 mm? -59.61 -46.15 89.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.335 0.588 . . . . 1.85 110.358 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 -52.14 65.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.998 -1.001 . . . . 1.72 111.315 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.7 -32.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.601 -0.272 . . . . 0.89 111.433 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 872' ' ' VAL . 5.3 mt -65.8 -32.07 73.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.002 0.429 . . . . 1.66 110.976 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.0 m -80.17 -27.54 38.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.756 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -55.8 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 3.46 111.185 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -122.27 159.35 27.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.713 -0.477 . . . . 1.86 109.713 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -87.9 132.86 34.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.478 -0.489 . . . . 3.12 111.017 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.7 mp -132.26 142.26 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.184 -0.916 . . . . 1.06 109.423 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -82.66 -52.04 7.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.008 0.373 . . . . 1.64 112.008 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 142.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 1.03 110.594 -178.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 864' ' ' LEU . 77.9 t -119.5 132.18 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.8 -0.36 . . . . 0.67 111.101 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -129.15 120.25 25.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.87 -0.419 . . . . 0.87 109.87 173.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.619 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.4 p -109.48 109.75 20.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.469 -0.332 . . . . 0.73 110.814 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.784 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -86.24 110.2 19.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.81 -0.632 . . . . 1.34 109.95 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.949 -0.569 . . . . 1.29 110.845 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.871 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 10.5 p90 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 113.586 0.958 . . . . 2.84 113.586 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.506 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.73 -26.85 47.46 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.329 -0.851 . . . . 3.36 112.919 -164.134 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.318 1.056 . . . . 2.34 109.177 -172.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.984 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 90.8 m -77.65 -26.82 50.74 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.423 -1.262 . . . . 1.28 108.922 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 1.4 tm0? -59.12 -40.48 85.53 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.127 -0.694 . . . . 2.17 109.127 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.78 91.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.711 -0.677 . . . . 2.36 110.918 174.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.855 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -62.07 -32.33 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.16 0.505 . . . . 1.71 110.711 176.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.511 ' HD3' ' OE1' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -75.06 -32.01 61.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.052 -0.522 . . . . 2.24 110.733 178.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.511 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 20.2 mm100 -67.35 -27.93 67.54 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.126 0.489 . . . . 2.62 110.185 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -48.94 62.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 1.91 109.543 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.03 60.33 0.97 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.872 -0.68 . . . . 1.12 112.034 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.583 HD22 HG23 ' A' ' 890' ' ' ILE . 1.3 pt? -89.67 147.88 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.129 0.49 . . . . 2.89 111.027 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -34.55 18.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.647 -0.706 . . . . 2.49 111.761 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 895' ' ' LEU . 0.8 OUTLIER -77.52 157.21 80.34 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.609 -0.723 . . . . 1.4 111.837 -171.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 148.38 23.51 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 123.287 2.658 . . . . 0.73 113.367 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 80.4 t -119.59 128.58 75.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.285 -0.871 . . . . 0.64 110.648 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -100.41 105.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.622 -0.717 . . . . 0.64 109.717 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . 0.607 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -88.36 101.04 2.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.898 -0.668 . . . . 0.48 112.454 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.1 t -76.38 122.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 35.7 p -128.47 153.47 47.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.788 0.328 . . . . 0.89 111.491 -171.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.99 110.27 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.355 -0.384 . . . . 1.19 111.643 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.81 56.36 1.13 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.495 0.554 . . . . 2.7 112.495 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -108.02 -28.19 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.853 0.358 . . . . 2.81 110.583 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.9 mt 64.03 18.76 11.41 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.563 -0.744 . . . . 3.93 111.443 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.05 29.11 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 2.09 109.274 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 51.0 mp0 -60.06 -53.06 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.888 . . . . 3.31 111.23 -175.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -63.59 -35.66 81.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 3.58 110.41 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.29 110.97 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.871 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 2.2 mt-30 -70.33 -39.44 74.74 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.056 -0.72 . . . . 2.65 109.056 176.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.478 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -62.13 -26.94 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 4.05 110.535 178.019 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 40.0 m -74.97 -43.6 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 1.65 110.373 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -52.8 22.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.869 -0.605 . . . . 1.88 111.598 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.984 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.26 -38.34 35.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 3.47 110.817 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.3 m 52.27 52.59 13.96 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.002 1.112 . . . . 1.35 114.002 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.416 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -125.02 1.83 8.42 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 119.636 -1.269 . . . . 1.02 111.957 174.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 4.7 mtm -92.04 -124.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 2.01 111.833 -173.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.7 t70 171.0 -55.22 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.804 -1.089 . . . . 1.26 108.179 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 157.56 44.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.372 -0.831 . . . . 1.26 109.787 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 81.6 m -121.43 146.35 46.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.74 0.305 . . . . 1.13 110.513 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 935' ' ' THR . 76.9 mt -131.0 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.69 110.442 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.86 144.54 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.89 -0.411 . . . . 0.89 109.89 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 2.4 ttmm -50.22 -42.23 71.26 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 113.546 0.943 . . . . 1.11 113.546 -176.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.5 Cg_endo -65.88 61.18 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.028 1.819 . . . . 1.01 113.476 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . 0.407 ' HB ' HD12 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -85.96 79.5 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 1.36 110.617 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.47 174.04 7.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.993 -0.549 . . . . 0.92 110.53 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.01 -38.57 62.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.684 0.278 . . . . 0.92 111.426 -177.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 9.8 t70 -63.29 -56.74 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.068 0.461 . . . . 1.85 110.368 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 29.2 t -66.0 -42.76 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.428 -0.806 . . . . 0.93 111.391 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.2 tt -64.54 -31.07 52.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.18 111.021 -177.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -32.57 61.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.12 -0.232 . . . . 1.9 110.731 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 66.3 mt-30 -55.59 -55.71 28.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.421 0.629 . . . . 2.25 109.916 174.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . 0.461 HG21 HD11 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -69.83 -41.43 74.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.33 -0.85 . . . . 0.62 111.88 -177.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.83 -0.168 . . . . 0.86 111.303 -177.435 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 70.6 m -62.64 -44.46 96.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.581 0.229 . . . . 0.87 111.316 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -40.72 92.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.053 0.454 . . . . 1.42 110.936 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.3 OUTLIER -71.28 -41.81 69.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.183 -0.462 . . . . 1.59 111.514 -177.021 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -61.32 -40.58 94.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 0.61 110.814 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.21 -38.73 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 1.87 110.192 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -63.13 -48.07 80.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 3.11 110.818 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.27 -30.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.566 -0.288 . . . . 0.75 110.294 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -57.5 -45.06 85.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.058 0.456 . . . . 3.58 109.932 175.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -70.47 -44.06 68.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.619 -0.719 . . . . 2.78 110.807 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -60.07 -39.78 87.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.024 0.44 . . . . 1.34 111.47 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.407 . . . . 3.53 110.966 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 26.5 mtp . . . . . 0 C--O 1.24 0.554 0 CA-C-O 121.618 0.723 . . . . 1.9 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.9 ptp -109.81 133.17 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.282 -0.872 . . . . 1.93 110.292 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.999 ' HB ' HD21 ' A' ' 844' ' ' LEU . 3.9 mm -121.2 143.42 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.323 0.583 . . . . 0.47 110.531 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 863' ' ' VAL . 0.1 OUTLIER -94.76 118.04 31.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.592 -0.731 . . . . 1.37 110.484 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.581 HG13 HD22 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -106.62 98.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.29 0.567 . . . . 1.06 109.787 177.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 854' ' ' ALA . 19.7 t -109.36 137.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.718 -0.674 . . . . 1.07 110.474 -177.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.537 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 6.5 t0 -144.68 130.93 19.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.106 -0.702 . . . . 1.3 109.106 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.01 -13.19 61.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.044 0.449 . . . . 2.03 111.13 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.562 ' HB3' ' HD2' ' A' ' 834' ' ' PRO . 47.3 m170 -116.34 -176.08 0.35 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.387 -0.598 . . . . 2.12 109.387 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 833' ' ' HIS . 84.8 Cg_endo -94.69 -32.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.643 1.562 . . . . 1.12 114.646 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 1.4 pt -69.22 -42.59 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.272 0.471 . . . . 2.26 112.272 -171.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -22.7 48.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.779 -0.452 . . . . 1.83 109.779 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 8.2 ttm180 -63.14 -52.58 61.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.266 -0.425 . . . . 2.78 110.545 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.1 OUTLIER -66.28 -30.22 70.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.522 -0.308 . . . . 2.75 110.85 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.84 53.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 1.14 111.015 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' A' ' 829' ' ' VAL . 15.1 tp -66.92 -46.37 75.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.847 -0.615 . . . . 1.43 110.922 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.66 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.6 110.733 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . 0.58 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 5.4 t0 -66.25 -46.68 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.34 110.04 176.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.49 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.7 OUTLIER -57.96 -48.36 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.575 -0.739 . . . . 1.85 110.522 177.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.999 HD21 ' HB ' ' A' ' 827' ' ' ILE . 13.7 tp -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.805 -0.634 . . . . 1.24 111.155 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -69.12 -21.76 75.73 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.816 -0.707 . . . . 0.52 112.127 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 49.5 m -82.97 -19.5 36.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.423 0.154 . . . . 0.7 111.354 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 844' ' ' LEU . 1.2 pp -96.49 -10.71 26.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.432 -0.507 . . . . 1.56 110.623 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.72 28.8 13.11 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.782 -0.723 . . . . 0.62 114.198 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . 0.418 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 1.1 m-30 -111.63 155.87 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.613 0.707 . . . . 1.22 110.914 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 850' ' ' GLN . 2.4 mp0 -65.79 112.3 3.66 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.99 -0.55 . . . . 2.38 111.013 -175.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.634 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.46 105.47 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.206 -0.452 . . . . 0.94 111.648 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.4 115.07 27.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.569 -0.53 . . . . 1.44 109.569 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.99 136.99 32.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.646 0.61 . . . . 0.62 112.646 -172.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.834 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.8 165.25 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.707 -0.849 . . . . 0.47 108.707 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.6 p-10 -136.1 72.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.031 -0.668 . . . . 1.9 112.2 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.806 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 34.1 t0 162.83 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.008 -0.997 . . . . 1.45 109.385 171.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.984 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.03 -43.36 93.63 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.357 -0.925 . . . . 0.58 111.288 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -74.3 -28.74 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.91 -0.171 . . . . 0.95 110.641 177.644 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 24.6 t0 -56.1 -40.81 74.23 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.7 -0.482 . . . . 0.84 109.7 172.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 864' ' ' LEU . . . -56.98 -47.33 81.04 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.684 -0.689 . . . . 0.51 110.274 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.47 -39.37 73.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.072 -0.513 . . . . 1.85 111.047 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -63.6 -50.23 70.24 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.949 -0.569 . . . . 1.72 110.661 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -34.23 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.818 -0.628 . . . . 0.89 110.721 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 860' ' ' ALA . 75.3 mt -69.07 -32.05 71.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.988 0.423 . . . . 1.66 110.753 177.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 47.5 m -64.55 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.82 110.249 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -83.49 -59.48 2.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.269 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . 0.506 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 36.9 t30 -125.47 138.41 53.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.817 -0.629 . . . . 1.86 109.899 -174.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -57.5 -53.75 54.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 3.12 112.349 -174.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 8.2 mm 66.36 149.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 123.316 0.385 . . . . 1.06 110.329 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.04 -64.77 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.785 -0.572 . . . . 1.64 111.302 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.627 ' HB ' HG23 ' A' ' 827' ' ' ILE . 9.1 mm -110.99 136.73 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.245 -0.434 . . . . 1.03 110.015 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 828' ' ' LEU . 63.5 t -118.83 127.53 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.957 -0.297 . . . . 0.67 111.211 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.55 102.3 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.749 -0.463 . . . . 0.87 109.749 174.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.591 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -99.65 106.63 18.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.223 -0.444 . . . . 0.73 110.782 -178.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 45.0 t0 -84.48 132.52 34.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.746 . . . . 1.34 111.418 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 1.29 110.395 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 4.6 p90 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.147 0.499 . . . . 2.84 111.381 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -58.2 -27.83 64.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.65 0.738 . . . . 3.36 111.39 -165.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.984 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -72.6 -28.63 62.9 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.219 -0.9 . . . . 2.34 109.475 -174.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.881 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 22.4 m -76.33 -27.45 56.51 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 114.642 -1.163 . . . . 1.28 108.798 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.765 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 31.7 tt0 -63.16 -37.36 86.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.497 -0.774 . . . . 2.17 109.252 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -39.83 93.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.578 -0.737 . . . . 2.36 110.256 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 899' ' ' VAL . 0.4 OUTLIER -60.69 -38.53 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.868 0.365 . . . . 1.71 110.781 176.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.577 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -74.81 -30.63 61.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 2.24 110.766 -179.041 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.73 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 2.62 110.928 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -30.04 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 1.91 110.643 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.92 71.56 0.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.003 -0.839 . . . . 1.12 111.003 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.2 pt? -66.67 126.63 29.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.439 0.638 . . . . 2.89 111.881 -173.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 47.77 1.44 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.404 -0.816 . . . . 2.49 109.444 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 898' ' ' PRO . 0.7 OUTLIER -168.91 143.22 2.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.135 -0.938 . . . . 1.4 109.758 -173.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 7.3 Cg_exo -73.41 124.27 9.28 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.699 2.266 . . . . 0.73 111.612 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 16.1 t -99.87 109.77 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.609 0.719 . . . . 0.64 110.635 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.19 108.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.626 -0.716 . . . . 0.64 109.485 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . 0.567 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -91.96 101.85 2.85 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 111.177 -0.769 . . . . 0.48 111.177 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 923' ' ' LEU . 3.7 p -99.06 129.1 49.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.804 -0.813 . . . . 1.04 108.804 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.3 p -143.59 162.85 34.81 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.362 -0.535 . . . . 0.89 112.186 -168.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -87.44 128.77 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.618 -0.719 . . . . 1.19 109.182 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . 0.453 HD21 HD13 ' A' ' 907' ' ' LEU . 4.5 t30 -58.87 111.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.569 0.543 . . . . 2.7 111.526 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -120.91 -7.06 9.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 2.81 110.444 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 905' ' ' ASN . 1.0 OUTLIER 67.74 30.31 6.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.443 -0.799 . . . . 3.93 111.849 177.044 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -135.86 -12.56 1.97 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.825 0.822 . . . . 2.09 110.067 175.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 909' ' ' GLU . 16.8 pm0 -69.5 -19.97 63.72 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.034 -0.985 . . . . 3.31 111.901 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.515 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -66.43 -50.89 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.118 -0.327 . . . . 3.58 110.118 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -30.7 69.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.486 . . . . 2.29 110.733 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.755 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -72.49 -36.55 68.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.4 -0.52 . . . . 2.65 110.566 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.641 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 4.3 ttm180 -68.05 -27.96 66.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.494 . . . . 4.05 110.163 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.75 -33.42 70.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.65 110.028 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 915' ' ' LEU . 7.5 mt -71.96 -53.23 13.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.971 -0.559 . . . . 1.88 112.021 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.881 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -78.64 -43.69 25.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.686 -0.405 . . . . 3.47 111.002 -176.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.9 m 45.51 52.2 9.3 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.979 1.103 . . . . 1.35 113.979 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.14 -0.32 8.15 Favored Glycine 0 C--N 1.316 -0.531 0 C-N-CA 119.728 -1.225 . . . . 1.02 112.353 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.904 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 7.0 mtt -75.21 -112.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.288 0.477 . . . . 2.01 112.288 -172.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.5 t70 163.27 -51.91 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 114.875 -1.057 . . . . 1.26 108.399 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.78 166.56 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.48 -0.782 . . . . 1.26 110.325 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 72.6 m -135.17 129.51 33.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.527 -0.306 . . . . 1.13 110.294 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 1.069 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.5 OUTLIER -126.95 -174.49 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.162 -0.472 . . . . 0.69 110.193 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 1.6 m -117.96 138.18 52.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.353 -0.385 . . . . 0.89 110.152 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.502 ' HG3' ' OD2' ' A' ' 875' ' ' ASP . 2.1 ttmm -30.03 -54.34 0.34 Allowed Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 114.773 1.397 . . . . 1.11 114.773 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 53.2 Cg_endo -70.45 69.0 2.06 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.678 1.585 . . . . 1.01 113.56 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.81 102.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 1.36 110.299 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.41 -179.66 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 0.92 111.415 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -59.11 -47.03 86.77 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.241 0.46 . . . . 0.92 112.241 -173.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -37.63 54.84 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.872 -0.331 . . . . 1.85 110.82 -175.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.93 110.449 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 843' ' ' GLN . 2.3 tt -68.6 -28.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.18 110.508 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -70.47 -48.2 56.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.605 -0.27 . . . . 1.9 111.437 -177.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.29 87.98 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.487 -0.485 . . . . 2.25 110.444 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -48.5 72.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.612 0.244 . . . . 0.62 111.009 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -59.54 -49.64 76.98 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.86 110.461 179.181 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 68.6 m -63.01 -44.18 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 0.87 111.564 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.85 80.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 1.42 110.951 -178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.82 -26.5 59.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 1.59 111.346 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.26 67.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.084 -0.339 . . . . 0.61 110.084 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 1.87 110.223 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -47.77 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.489 -0.323 . . . . 3.11 111.003 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.29 -30.18 38.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 121.017 -0.273 . . . . 0.75 110.928 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -67.8 -37.2 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.516 -0.55 . . . . 3.58 109.516 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 9.6 mtmt -65.1 -44.87 87.38 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.526 . . . . 2.78 110.365 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 8.5 m -63.03 -27.75 69.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.076 0.465 . . . . 1.34 111.023 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 3.53 111.592 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.96 0.409 . . . . 1.9 111.459 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.0 mtt -102.47 117.68 35.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 1.93 110.318 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.422 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.9 mm -108.88 133.66 53.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.891 -0.595 . . . . 0.47 110.198 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.95 ' HB2' HG21 ' A' ' 869' ' ' ILE . 55.1 tp -99.43 115.57 29.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.998 -0.546 . . . . 1.37 110.47 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.667 ' HB ' HD21 ' A' ' 840' ' ' LEU . 3.6 m -101.7 95.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.433 0.635 . . . . 1.06 109.953 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.811 HG22 ' HG ' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -106.56 81.84 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.897 -0.592 . . . . 1.07 111.91 -172.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.476 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 23.1 t0 -113.37 128.21 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.732 -0.387 . . . . 1.3 110.022 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 28.8 t70 -65.34 -35.25 80.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 2.03 111.835 -178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -92.28 122.13 65.28 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 2.12 110.735 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.95 -53.12 7.09 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.714 2.943 . . . . 1.12 114.478 -174.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -29.73 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.012 0.434 . . . . 2.26 111.114 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.476 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 11.9 m120 -79.4 -32.76 43.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.653 -0.499 . . . . 1.83 109.653 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 831' ' ' ASP . 28.3 ttm180 -61.29 -53.17 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 2.78 110.54 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.0 OUTLIER -64.5 -27.77 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 2.75 110.611 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 839' ' ' LEU . 4.9 mt -70.55 -52.07 24.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 1.14 111.003 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.667 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -66.75 -31.23 71.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 1.43 110.494 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.22 60.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.63 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 4.1 t70 -71.85 -44.31 64.04 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.398 -0.593 . . . . 1.34 109.398 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.766 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -61.62 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.366 -0.834 . . . . 1.85 109.988 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.65 90.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.65 -0.704 . . . . 1.24 110.363 176.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.39 77.38 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.554 -0.748 . . . . 0.52 112.431 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.3 m -68.3 -28.35 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.999 0.428 . . . . 0.7 109.946 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -44.91 61.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 1.56 110.161 174.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.21 21.57 22.27 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.699 -0.762 . . . . 0.62 112.352 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -98.58 169.15 9.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.708 0.29 . . . . 1.22 110.979 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -66.95 123.46 20.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 2.38 110.126 178.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 123.54 45.45 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.521 -0.309 . . . . 0.94 110.64 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 124.67 51.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.417 -0.586 . . . . 1.44 109.417 175.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.489 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.7 OUTLIER -90.43 141.9 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.62 112.088 -173.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.734 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.24 178.12 10.53 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.767 -0.827 . . . . 0.47 108.767 176.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.559 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.8 OUTLIER -159.46 74.25 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.16 -0.616 . . . . 1.9 112.337 -176.108 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.602 ' H ' HG12 ' A' ' 830' ' ' VAL . 21.8 t70 164.98 152.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.887 0.742 . . . . 1.45 110.187 174.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.647 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -63.79 -47.95 81.39 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.015 -0.612 . . . . 0.58 112.438 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.6 HG22 ' OD2' ' A' ' 856' ' ' ASP . 2.3 m -74.24 -30.39 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.95 110.576 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 31.7 t0 -64.22 -32.35 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.049 0.452 . . . . 0.84 110.107 176.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.04 86.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 0.51 111.357 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.638 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.8 OUTLIER -74.2 -28.24 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.662 0.267 . . . . 1.85 110.551 178.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.4 -55.31 32.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.873 -0.603 . . . . 1.72 110.298 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.12 -30.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.89 110.115 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 872' ' ' VAL . 1.2 mt -61.13 -32.59 72.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 1.66 111.089 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 37.5 m -82.88 -19.53 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.331 -0.395 . . . . 0.82 110.996 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 4.93 31.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.308 . . . . 3.46 111.82 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -168.69 140.37 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.144 -0.317 . . . . 1.86 110.144 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -74.88 106.5 6.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.291 . . . . 3.12 110.922 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.2 mt -113.1 141.87 27.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.269 -0.641 . . . . 1.06 109.269 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.32 -54.22 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.95 0.405 . . . . 1.64 111.169 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.422 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.2 mm -105.7 121.5 58.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 1.03 110.043 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 864' ' ' LEU . 62.6 t -113.94 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.646 -0.421 . . . . 0.67 111.259 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.45 108.07 13.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.87 110.203 177.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.17 108.19 20.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.303 0.573 . . . . 0.73 110.528 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 3.8 t0 -90.36 106.53 18.55 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.386 -0.825 . . . . 1.34 110.278 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 115.242 -0.89 . . . . 1.29 111.294 -173.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 1.045 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 3.0 p90 . . . . . 0 CA--C 1.516 -0.335 0 CA-C-O 121.695 0.759 . . . . 2.84 111.465 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.512 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.44 -25.38 59.55 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.437 -0.801 . . . . 3.36 112.276 -161.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.647 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.6 OUTLIER -65.6 -36.5 83.92 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.993 0.901 . . . . 2.34 108.609 -171.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.8 m -78.52 -28.53 46.22 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.216 -1.357 . . . . 1.28 110.358 177.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.478 ' HG2' ' HD3' ' A' ' 885' ' ' ARG . 2.1 tp60 -60.93 -40.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.181 0.515 . . . . 2.17 109.645 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -70.54 -35.45 73.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.043 -0.526 . . . . 2.36 110.677 178.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -65.51 -31.73 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.146 0.498 . . . . 1.71 110.499 175.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.48 -40.3 73.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 2.24 110.111 177.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 2.62 110.649 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -36.01 74.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.846 -0.615 . . . . 1.91 110.903 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 109.81 81.54 1.26 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.921 -0.657 . . . . 1.12 111.736 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -84.65 148.3 26.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.539 . . . . 2.89 111.423 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.54 39.32 0.88 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 2.49 109.337 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.65 162.23 27.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.553 -0.749 . . . . 1.4 110.317 -173.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.94 118.04 5.39 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.6 2.2 . . . . 0.73 112.67 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.874 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 35.9 t -104.9 118.76 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.428 0.632 . . . . 0.64 110.299 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 1.5 mp -111.34 111.08 34.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.619 -0.719 . . . . 0.64 110.064 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.44 113.34 4.54 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.563 -0.827 . . . . 0.48 112.019 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -87.03 98.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.03 -0.73 . . . . 1.04 109.03 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 126.24 52.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.738 -0.665 . . . . 0.89 112.032 -171.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 905' ' ' ASN . . . -78.12 134.68 37.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 1.19 109.202 171.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . 0.434 ' HB3' ' O ' ' A' ' 904' ' ' ALA . 48.6 t30 76.13 -50.77 0.61 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.195 0.598 . . . . 2.7 111.174 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 65.45 -89.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.116 0.567 . . . . 2.81 111.127 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.02 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.751 0.657 . . . . 3.93 111.869 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.32 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.885 0.474 . . . . 2.09 111.143 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.516 ' HB3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER 35.98 -111.47 0.07 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.518 1.136 . . . . 3.31 113.82 168.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.516 ' H ' ' HB3' ' A' ' 909' ' ' GLU . 5.2 mt-10 -60.88 -34.12 74.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.37 -0.832 . . . . 3.58 112.064 -172.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . 0.434 ' HE2' HD12 ' A' ' 915' ' ' LEU . 0.1 OUTLIER -68.63 -46.74 68.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.606 -0.438 . . . . 2.29 110.7 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 1.045 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.69 -29.17 58.92 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.002 -1.079 . . . . 2.65 109.879 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.502 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 10.1 ttm180 -62.01 -35.14 77.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.034 0.445 . . . . 4.05 110.323 174.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 -26.55 61.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.76 -0.459 . . . . 1.65 109.76 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.609 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -69.34 -51.45 36.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.687 -0.688 . . . . 1.88 111.313 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.88 -36.45 59.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.982 0.42 . . . . 3.47 110.5 178.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.73 49.37 20.47 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.401 0.889 . . . . 1.35 113.401 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.92 6.8 1.02 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 119.56 -1.305 . . . . 1.02 113.613 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.874 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.6 OUTLIER -82.39 -117.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.844 0.355 . . . . 2.01 111.778 -173.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 919' ' ' MET . 15.1 t0 167.13 -57.21 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.409 -0.96 . . . . 1.26 108.409 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 900' ' ' ILE . 45.4 m -150.24 134.4 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.726 -0.67 . . . . 1.26 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.14 138.22 47.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 1.13 109.947 175.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -175.13 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.41 -0.359 . . . . 0.69 110.218 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -99.24 151.77 20.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.995 -0.548 . . . . 0.89 109.942 178.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 2.5 tptp -51.87 -48.55 87.53 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.997 0.74 . . . . 1.11 112.997 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.0 Cg_endo -72.02 63.02 3.31 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.037 1.824 . . . . 1.01 113.533 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 924' ' ' SER . 12.5 t -82.86 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 1.36 110.009 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.7 171.94 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.92 111.293 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.9 OUTLIER -56.91 -34.74 68.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.997 -0.547 . . . . 0.92 110.724 177.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -50.6 61.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.85 110.305 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.89 -46.76 93.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.93 110.757 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.766 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.3 OUTLIER -65.05 -27.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.184 -0.462 . . . . 1.18 111.434 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -48.64 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.207 -0.197 . . . . 1.9 111.236 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.84 -35.29 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 2.25 110.49 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 96.2 m -65.32 -46.67 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.691 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -62.29 -45.29 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.86 110.81 178.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 8.0 m -62.63 -42.39 99.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.87 111.27 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -42.55 96.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.716 0.293 . . . . 1.42 111.367 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 20.4 m-30 -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.697 -0.229 . . . . 1.59 111.295 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.53 89.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.325 0.583 . . . . 0.61 109.576 173.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.65 78.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.407 -0.815 . . . . 1.87 109.899 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -63.5 -46.84 84.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 3.11 110.752 -177.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.558 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 2.8 m -70.66 -31.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.618 -0.433 . . . . 0.75 110.546 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 3.58 110.293 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -74.92 -40.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 2.78 111.234 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 24.3 m -69.39 -26.37 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 1.34 111.173 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.236 0.379 0 CA-C-O 120.866 0.365 . . . . 3.53 110.158 176.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.287 0 N-CA-C 108.353 -0.981 . . . . 1.9 108.353 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.74 118.91 33.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.145 0.498 . . . . 1.93 111.258 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -111.44 135.87 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 0.47 110.218 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -93.78 103.67 15.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.052 -0.522 . . . . 1.37 110.051 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 840' ' ' LEU . 4.8 m -92.43 94.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.775 0.798 . . . . 1.06 109.753 176.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.725 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 2.3 t -105.76 141.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.302 -0.863 . . . . 1.07 109.362 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.589 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 5.9 t70 -147.82 138.31 23.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.891 0.377 . . . . 1.3 110.236 172.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . 0.642 ' CB ' ' HA ' ' A' ' 876' ' ' VAL . 36.4 t0 -86.85 55.5 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.406 -0.815 . . . . 2.03 109.335 175.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.49 162.9 2.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.128 -1.064 . . . . 2.12 108.128 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -89.24 -41.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.475 1.45 . . . . 1.12 113.452 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.0 -44.54 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.646 -0.252 . . . . 2.26 111.583 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -25.64 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.024 -0.362 . . . . 1.83 110.024 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.601 ' HD2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -60.17 -50.52 73.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 2.78 110.584 175.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.96 -30.03 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 2.75 110.88 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -45.18 48.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 1.14 110.987 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -71.11 -30.06 66.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.274 -0.421 . . . . 1.43 110.365 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.65 67.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.6 110.243 173.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.84 -46.69 74.3 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.583 -0.525 . . . . 1.34 109.583 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.66 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.5 OUTLIER -58.52 -43.93 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.85 110.322 176.103 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.587 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -62.41 -40.72 97.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.787 -0.642 . . . . 1.24 110.856 177.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.01 -27.46 72.29 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.84 -0.618 . . . . 0.52 111.961 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.6 m -72.6 -27.95 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.7 110.059 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.631 HD13 ' HG ' ' A' ' 936' ' ' LEU . 2.6 mt -77.11 -22.11 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 1.56 110.371 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 76.88 25.92 63.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.956 -0.64 . . . . 0.62 112.407 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -104.28 166.25 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.714 0.292 . . . . 1.22 111.002 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.91 116.68 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 2.38 110.613 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.8 m -96.51 116.25 28.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.94 111.043 -176.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.33 111.66 23.72 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.208 -0.664 . . . . 1.44 109.208 174.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.601 HG22 ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.43 133.34 35.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.02 0.438 . . . . 0.62 111.892 -172.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.452 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -144.99 165.42 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.47 109.825 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.645 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.9 t-20 -141.44 72.88 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 1.9 110.423 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.726 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 3.5 t70 160.61 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.588 1.155 . . . . 1.45 109.681 170.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.547 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -73.34 -40.88 47.55 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.967 -0.853 . . . . 0.58 110.967 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.505 HG22 ' OD1' ' A' ' 856' ' ' ASP . 32.8 m -72.97 -28.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.18 0.514 . . . . 0.95 110.05 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.726 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 3.1 t0 -56.68 -40.25 75.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.84 110.215 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -66.6 -33.53 75.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.51 110.982 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 858' ' ' VAL . 2.4 mp -62.74 -44.94 94.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.171 0.51 . . . . 1.85 110.639 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -67.34 -47.78 69.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 1.72 111.039 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 860' ' ' ALA . 5.0 p -64.01 -31.19 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.322 -0.399 . . . . 0.89 110.689 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HG ' HD12 ' A' ' 869' ' ' ILE . 0.3 OUTLIER -65.51 -32.78 74.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.235 0.541 . . . . 1.66 110.535 174.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 10.3 m -83.17 -12.29 57.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 0.82 111.078 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -43.58 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.861 0.319 . . . . 3.46 111.861 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -138.22 147.95 44.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.563 -0.29 . . . . 1.86 110.454 -174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -77.19 103.44 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 3.12 111.212 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.484 HD12 ' HG ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -97.72 138.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.604 -0.888 . . . . 1.06 108.604 169.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -89.64 -33.66 16.57 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.588 0.218 . . . . 1.64 111.588 -170.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.0 134.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.781 -0.452 . . . . 1.03 109.781 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.876 HG23 HD11 ' A' ' 897' ' ' LEU . 50.3 t -114.63 130.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.547 -0.461 . . . . 0.67 111.206 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -134.32 119.71 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 174.079 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.725 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.73 111.6 -175.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 4.8 t0 -76.28 156.21 33.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.721 . . . . 1.34 109.296 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . 0.642 ' HA ' ' CB ' ' A' ' 832' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 112.118 0.414 . . . . 1.29 112.118 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.76 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 15.3 p90 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.691 0.758 . . . . 2.84 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.599 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.51 -25.83 39.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.819 0.818 . . . . 3.36 111.421 -170.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.547 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.2 OUTLIER -76.79 -22.1 54.19 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.536 -0.913 . . . . 2.34 108.536 -172.118 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.677 ' HA ' HD12 ' A' ' 890' ' ' ILE . 14.7 m -76.01 -30.99 58.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.466 -1.243 . . . . 1.28 109.194 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.411 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 10.2 tt0 -60.16 -37.1 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.317 -0.856 . . . . 2.17 109.087 173.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -34.14 70.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.199 -0.91 . . . . 2.36 110.816 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 887' ' ' THR . 96.8 mt -61.72 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.886 0.374 . . . . 1.71 110.622 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.464 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -70.51 -23.3 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.24 110.958 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.74 -39.39 66.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 2.62 109.74 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -50.07 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.483 -0.78 . . . . 1.91 110.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.97 91.87 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.861 -0.685 . . . . 1.12 112.188 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -76.72 126.97 31.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.123 0.487 . . . . 2.89 110.86 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.47 -2.22 25.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 2.49 110.745 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.876 HD11 HG23 ' A' ' 872' ' ' VAL . 0.6 OUTLIER -148.7 162.32 30.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.6 . . . . 1.4 110.623 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 133.75 36.88 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.982 2.454 . . . . 0.73 112.895 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.6 t -113.24 118.91 59.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.661 . . . . 0.64 110.579 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 3.7 mt -104.71 109.93 29.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.757 -0.656 . . . . 0.64 109.935 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.26 130.14 10.18 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.479 -0.867 . . . . 0.48 112.048 -177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.6 OUTLIER -98.95 93.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.002 -0.74 . . . . 1.04 109.002 177.175 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 0.7 OUTLIER -88.14 165.68 14.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.303 -0.862 . . . . 0.89 110.995 -175.281 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.686 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.06 119.25 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.814 0.672 . . . . 1.19 112.814 -174.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.49 43.09 2.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.055 -0.975 . . . . 2.7 113.259 165.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.86 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -123.64 -35.29 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.753 -0.379 . . . . 2.81 111.213 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.96 -48.2 0.66 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.607 0.763 . . . . 3.93 111.171 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -85.2 27.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 2.09 110.349 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.86 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 2.0 mp0 -60.23 -35.94 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.759 -0.655 . . . . 3.31 110.664 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.21 -27.43 69.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.62 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -73.87 -38.4 64.44 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.099 -0.334 . . . . 2.29 110.099 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.686 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 3.0 mp0 -68.52 -30.07 68.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.742 -0.783 . . . . 2.65 109.496 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.49 -29.5 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.275 0.559 . . . . 4.05 110.214 172.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 34.7 m -75.17 -29.32 60.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.034 0.445 . . . . 1.65 109.903 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.1 mp -71.2 -53.7 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 1.88 111.633 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.16 -37.61 38.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.627 0.251 . . . . 3.47 110.926 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 m 54.28 52.08 13.2 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.355 0.872 . . . . 1.35 113.355 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -147.6 20.38 1.49 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.95 -1.119 . . . . 1.02 112.758 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.662 ' HG2' HG21 ' A' ' 887' ' ' THR . 2.4 mmt -97.26 -116.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.996 0.427 . . . . 2.01 111.408 -174.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 919' ' ' MET . 2.0 t70 172.51 -51.68 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.276 -1.009 . . . . 1.26 108.276 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 157.3 44.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.358 -0.837 . . . . 1.26 110.672 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 118.99 21.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 1.13 110.633 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.21 -174.28 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.69 110.1 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.7 OUTLIER -110.5 142.61 42.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.504 -0.317 . . . . 0.89 110.786 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.686 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 14.7 tttp -46.93 -43.83 43.78 Favored Pre-proline 0 N--CA 1.472 0.648 0 N-CA-C 113.758 1.021 . . . . 1.11 113.758 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 35.9 Cg_endo -67.3 59.34 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.849 1.699 . . . . 1.01 112.635 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.65 152.91 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.799 -0.637 . . . . 1.36 110.334 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.3 171.3 10.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.628 -0.26 . . . . 0.92 110.456 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -52.63 -45.75 66.78 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.41 0.444 . . . . 0.92 111.429 179.127 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.44 -47.79 74.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.448 -0.342 . . . . 1.85 110.695 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.61 -44.66 99.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.913 -0.585 . . . . 0.93 111.275 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.9 tt -67.6 -35.97 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.518 -0.31 . . . . 1.18 110.675 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -67.8 -35.24 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 1.9 110.435 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.59 -51.01 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.995 -0.548 . . . . 2.25 110.509 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.0 m -62.47 -40.12 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.62 111.095 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.631 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.5 OUTLIER -59.65 -54.9 41.0 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.86 110.513 176.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 54.2 m -61.33 -46.0 92.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.512 -0.767 . . . . 0.87 111.722 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -39.47 94.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 1.42 111.449 -177.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.9 -31.55 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 1.59 111.514 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 0.61 110.414 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.5 OUTLIER -69.61 -33.97 73.42 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.163 -0.31 . . . . 1.87 110.163 178.141 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.588 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -63.48 -47.49 81.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.328 -0.396 . . . . 3.11 110.61 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.4 -30.24 34.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.942 -0.303 . . . . 0.75 110.413 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -48.57 78.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 3.58 110.768 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.588 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.7 OUTLIER -78.17 -16.7 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 2.78 111.359 -178.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.5 m -79.92 -44.27 20.68 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.823 -0.351 . . . . 1.34 110.808 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.915 0.388 . . . . 3.53 110.59 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.663 0.268 . . . . 1.9 110.431 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -91.7 121.77 33.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.055 -0.521 . . . . 1.93 109.644 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.611 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.1 mm -117.23 141.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.47 110.637 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.599 ' O ' ' HG ' ' A' ' 873' ' ' LEU . 0.3 OUTLIER -98.61 115.25 28.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.521 . . . . 1.37 109.728 176.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.6 m -111.09 103.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.704 0.764 . . . . 1.06 110.735 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.799 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.8 t -104.4 141.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.344 -0.844 . . . . 1.07 109.864 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 9.4 t70 -158.05 127.08 5.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 1.3 110.207 169.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.25 9.42 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.874 -0.603 . . . . 2.03 112.516 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 2.7 m170 -133.89 127.14 19.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 122.089 -0.382 . . . . 2.12 110.345 173.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 62.2 Cg_exo -52.17 -43.01 56.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.763 2.975 . . . . 1.12 114.263 -172.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 835' ' ' ILE . 0.2 OUTLIER -64.82 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.084 -0.246 . . . . 2.26 111.122 -175.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.4 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 3.2 t30 -83.18 -29.79 28.31 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.455 -0.498 . . . . 1.83 110.75 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.23 -42.54 91.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.49 -0.559 . . . . 2.78 109.49 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -61.51 -50.28 73.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.281 -0.872 . . . . 2.75 110.303 176.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -70.45 -33.21 71.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.887 -0.597 . . . . 1.14 111.589 -172.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.09 -37.46 75.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.787 -0.642 . . . . 1.43 109.97 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.82 65.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.164 -0.471 . . . . 0.6 110.337 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -48.48 79.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 1.34 109.458 175.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.861 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.3 mp0 -59.95 -50.2 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.064 -0.971 . . . . 1.85 111.173 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.6 tp -63.55 -35.87 81.9 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.017 0.437 . . . . 1.24 111.017 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.5 -31.44 78.74 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.097 -0.573 . . . . 0.52 111.706 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 14.7 m -68.52 -28.11 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.7 110.265 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -39.73 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 1.56 109.576 172.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.98 20.32 24.04 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.551 -0.75 . . . . 0.62 111.434 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -100.13 156.69 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 1.22 111.049 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.35 124.59 23.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 2.38 110.584 -176.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -110.44 103.54 12.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.978 -0.555 . . . . 0.94 111.212 -175.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -92.29 115.78 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 1.44 108.897 175.208 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.09 142.21 27.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.207 0.527 . . . . 0.62 112.381 -171.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -156.32 168.35 27.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.011 -0.995 . . . . 0.47 108.5 175.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.7 p-10 -151.11 73.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 1.9 112.189 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.888 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 30.2 t0 164.02 157.56 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.825 -1.08 . . . . 1.45 109.312 173.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.11 67.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.768 -0.73 . . . . 0.58 111.298 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.82 -28.54 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.95 110.685 176.395 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.888 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 15.6 t0 -56.67 -38.5 72.3 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.012 0.434 . . . . 0.84 110.05 173.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.96 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.76 -0.654 . . . . 0.51 110.837 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.536 ' CD2' HG12 ' A' ' 890' ' ' ILE . 1.3 mm? -57.77 -50.32 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 1.85 110.724 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -60.86 -50.44 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.543 -0.753 . . . . 1.72 111.244 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 828' ' ' LEU . 14.6 p -67.35 -32.32 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.554 -0.294 . . . . 0.89 111.29 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.441 HD22 HD21 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -66.79 -33.31 75.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 1.66 110.914 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 7.3 m -79.89 -27.61 39.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.82 111.197 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 -0.62 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.059 0.392 . . . . 3.46 112.059 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -160.35 137.71 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.318 -0.253 . . . . 1.86 110.318 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -89.65 130.41 35.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.214 0.531 . . . . 3.12 111.222 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.552 HD13 HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -130.32 145.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 1.06 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.58 -55.52 3.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.984 0.421 . . . . 1.64 110.699 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 827' ' ' ILE . 24.8 mt -106.96 121.42 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.168 -0.469 . . . . 1.03 110.067 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 899' ' ' VAL . 87.0 t -115.28 128.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 0.67 110.929 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 828' ' ' LEU . 1.1 pp -136.53 137.85 40.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 0.87 110.295 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.799 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -125.62 117.67 24.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.232 0.539 . . . . 0.73 110.216 179.722 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.727 ' HB2' ' O ' ' A' ' 830' ' ' VAL . 0.6 OUTLIER -92.32 106.3 18.33 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.43 -0.805 . . . . 1.34 111.186 -177.389 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.833 -0.621 . . . . 1.29 109.571 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.542 ' HA ' ' HB3' ' A' ' 912' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 123.005 1.383 . . . . 2.84 108.501 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.538 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -80.71 -28.23 36.72 Favored 'General case' 0 N--CA 1.416 -2.137 0 C-N-CA 117.817 -1.553 . . . . 3.36 113.795 -173.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -58.48 -47.77 82.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.103 0.954 . . . . 2.34 109.274 -167.24 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.96 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 31.7 m -81.4 -24.79 36.71 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.366 -1.288 . . . . 1.28 110.053 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.802 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 25.4 tp60 -54.52 -40.53 68.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.598 -0.519 . . . . 2.17 109.598 174.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -36.52 69.11 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.995 -0.548 . . . . 2.36 110.491 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.667 HG13 ' HA ' ' A' ' 887' ' ' THR . 4.0 mt -54.82 -50.33 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.136 0.493 . . . . 1.71 111.036 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -71.65 -24.59 61.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 2.24 111.115 -178.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.09 -31.83 71.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 2.62 110.744 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -14.64 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.91 110.215 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.44 31.88 6.59 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.675 -0.774 . . . . 1.12 112.639 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.441 HD21 HD22 ' A' ' 864' ' ' LEU . 0.1 OUTLIER -71.07 142.22 50.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 2.89 110.572 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 10.4 t -147.96 38.74 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.894 0.854 . . . . 2.49 109.76 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 161.59 54.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.16 -0.927 . . . . 1.4 109.433 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.515 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 29.1 Cg_endo -62.33 113.81 2.08 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 122.784 2.323 . . . . 0.73 113.203 -176.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.805 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 61.3 t -113.85 125.23 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.64 110.598 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 873' ' ' LEU . 0.6 OUTLIER -101.45 126.33 55.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.794 -0.639 . . . . 0.64 109.973 177.598 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -110.75 110.49 2.81 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.689 -0.767 . . . . 0.48 111.792 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 923' ' ' LEU . 61.1 t -92.09 117.4 35.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.684 -0.487 . . . . 1.04 109.684 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 909' ' ' GLU . 13.2 p -107.19 158.98 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.89 111.434 -171.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.77 103.99 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.501 -0.318 . . . . 1.19 111.084 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.04 32.39 18.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.62 -0.718 . . . . 2.7 112.426 175.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -93.7 92.84 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 2.81 109.177 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.51 14.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.908 0.707 . . . . 3.93 112.908 -171.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.6 25.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 2.09 110.306 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.603 ' HB2' HG21 ' A' ' 903' ' ' THR . 0.0 OUTLIER -67.73 -28.8 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 3.31 111.231 -175.265 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.68 -29.64 70.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.115 0.483 . . . . 3.58 109.871 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -40.8 67.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.972 -0.558 . . . . 2.29 110.73 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.726 ' O ' ' HG3' ' A' ' 916' ' ' GLU . 5.3 mp0 -70.65 -34.28 71.88 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 119.09 -1.044 . . . . 2.65 109.362 175.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -51.32 -40.34 58.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.171 0.51 . . . . 4.05 110.157 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 14.1 m -76.56 -30.72 57.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.817 -0.629 . . . . 1.65 111.655 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.5 OUTLIER -71.4 -53.18 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.082 0.401 . . . . 1.88 112.082 -178.195 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.96 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.1 OUTLIER -67.73 -34.34 76.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.788 0.435 . . . . 3.47 111.128 176.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.81 51.19 17.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.367 1.247 . . . . 1.35 114.367 172.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.42 23.87 1.53 Allowed Glycine 0 C--N 1.32 -0.316 0 C-N-CA 120.026 -1.083 . . . . 1.02 111.742 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.805 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.7 ttm -103.97 -125.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.621 0.248 . . . . 2.01 110.978 -174.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.4 t70 175.47 -54.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.865 -0.791 . . . . 1.26 108.865 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.03 152.19 35.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.35 -0.841 . . . . 1.26 110.203 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 6.6 m -116.42 145.01 43.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 1.13 110.745 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.635 ' HB2' HG22 ' A' ' 902' ' ' VAL . 19.4 mt -126.07 -179.56 4.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.384 -0.371 . . . . 0.69 110.108 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 27.5 m -108.27 148.5 29.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.828 -0.434 . . . . 0.89 109.828 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.507 ' HD2' HG12 ' A' ' 902' ' ' VAL . 2.6 tptp -50.49 -44.06 81.85 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 114.873 1.434 . . . . 1.11 114.873 -170.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -69.05 57.43 1.15 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.182 1.921 . . . . 1.01 113.541 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.53 109.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.172 0.511 . . . . 1.36 110.683 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -179.21 4.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.867 -0.606 . . . . 0.92 110.731 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -57.28 -43.86 83.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.632 0.254 . . . . 0.92 111.185 -177.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.31 -44.72 90.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 1.85 110.412 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.74 -47.65 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.712 -0.677 . . . . 0.93 110.753 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 843' ' ' GLN . 1.6 tt -67.49 -29.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.005 -0.278 . . . . 1.18 111.005 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -48.43 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.477 0.177 . . . . 1.9 111.477 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -38.7 92.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.464 -0.495 . . . . 2.25 110.541 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 1.5 m -67.39 -44.46 78.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.352 -0.386 . . . . 0.62 110.858 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -63.35 -50.98 67.84 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.388 -0.369 . . . . 0.86 111.347 -177.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 53.9 m -62.37 -41.08 98.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.693 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -42.7 66.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 1.42 110.917 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.62 -49.05 70.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 1.59 110.807 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -58.76 -41.33 86.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.61 111.497 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 1.87 110.543 179.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.418 HH22 ' CG ' ' A' ' 920' ' ' ASP . 0.0 OUTLIER -73.8 -43.21 59.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.501 -0.318 . . . . 3.11 110.935 -176.022 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 940' ' ' ALA . 33.7 m -71.54 -29.8 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.615 0.245 . . . . 0.75 110.886 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -64.1 -43.25 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.954 -0.387 . . . . 3.58 109.954 174.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.4 mttm -74.23 -19.58 60.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 2.78 110.957 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.5 m -82.81 -30.3 28.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 1.34 111.293 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 947' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 3.53 110.696 -178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.0 mtp . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 109.707 -0.479 . . . . 1.9 109.707 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.514 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.4 mtm -87.33 117.99 26.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.667 -0.697 . . . . 1.93 110.842 -174.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.7 mm -118.52 129.56 74.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.011 -0.54 . . . . 0.47 109.881 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.545 ' HG ' HD13 ' A' ' 869' ' ' ILE . 0.4 OUTLIER -94.79 116.5 28.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.93 -0.577 . . . . 1.37 110.934 -178.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 3.9 m -95.29 95.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 1.06 109.365 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.546 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.3 t -106.45 83.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 1.07 111.178 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.801 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -114.37 153.65 29.45 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 121.1 -0.24 . . . . 1.3 111.035 -174.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.26 -19.6 22.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.518 0.562 . . . . 2.03 112.518 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -107.42 105.25 55.41 Favored Pre-proline 0 C--O 1.221 -0.443 0 O-C-N 122.396 -0.19 . . . . 2.12 110.785 -174.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.9 Cg_endo -42.41 -40.07 6.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.816 3.011 . . . . 1.12 114.241 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.419 ' H ' HG22 ' A' ' 835' ' ' ILE . 1.3 tt -62.94 -41.02 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.125 0.488 . . . . 2.26 111.144 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -32.26 62.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.177 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.421 ' HD3' ' OD1' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -56.49 -43.69 79.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 2.78 110.015 173.6 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.493 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.98 -51.01 71.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.497 -0.774 . . . . 2.75 110.509 178.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.493 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.63 -32.85 62.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.47 -0.786 . . . . 1.14 111.713 -171.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.29 -42.78 62.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.086 -0.506 . . . . 1.43 110.386 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.77 -24.56 63.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.181 0.515 . . . . 0.6 110.085 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.03 -49.76 66.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 1.34 109.902 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.9 -37.24 81.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.834 -0.621 . . . . 1.85 110.218 176.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.69 -42.71 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.624 -0.716 . . . . 1.24 110.336 176.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.79 75.73 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.674 -0.694 . . . . 0.52 112.354 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 4.2 m -61.82 -40.84 96.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.46 0.171 . . . . 0.7 110.91 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.903 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.69 -39.87 88.3 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.492 -0.558 . . . . 1.56 109.492 175.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 98.5 38.59 3.92 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.66 -0.7 . . . . 0.62 112.396 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -113.25 -176.31 2.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.997 -0.371 . . . . 1.22 109.997 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.2 OUTLIER -84.99 108.29 17.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.627 -0.26 . . . . 2.38 110.899 -176.064 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 116.43 27.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.558 -0.292 . . . . 0.94 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 828' ' ' LEU . 2.2 mptp? -112.13 132.18 55.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.134 -0.691 . . . . 1.44 109.134 175.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.05 138.89 33.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.352 0.501 . . . . 0.62 112.352 -171.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 830' ' ' VAL . . . -158.66 163.86 36.49 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.993 -0.743 . . . . 0.47 108.993 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 17.4 p-10 -149.9 72.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.706 -0.797 . . . . 1.9 112.989 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.55 161.19 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.646 1.179 . . . . 1.45 109.505 166.466 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -63.2 -43.31 98.78 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.041 -0.6 . . . . 0.58 113.366 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.478 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 3.9 m -73.95 -31.21 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.465 . . . . 0.95 110.852 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.429 ' HB2' ' OD2' ' A' ' 856' ' ' ASP . 5.1 t0 -59.49 -39.17 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.84 110.578 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -59.13 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 0.51 111.486 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.573 ' HB3' HG12 ' A' ' 890' ' ' ILE . 1.5 pp -72.69 -35.02 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 1.85 111.065 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.3 -48.11 76.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.168 0.508 . . . . 1.72 110.762 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.456 ' CG1' HD11 ' A' ' 828' ' ' LEU . 4.7 p -70.82 -31.05 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.128 -0.487 . . . . 0.89 110.692 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -66.48 -35.74 81.03 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.933 0.345 . . . . 1.66 111.933 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -39.15 66.08 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.87 -0.332 . . . . 0.82 110.186 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -67.27 -49.7 63.31 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.117 0.484 . . . . 3.46 110.874 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.25 128.4 37.77 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.134 -0.691 . . . . 1.86 109.134 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -82.18 139.83 34.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.177 0.513 . . . . 3.12 111.437 -172.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.545 HD13 ' HG ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -125.19 155.08 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.268 -0.878 . . . . 1.06 109.133 -177.736 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.42 -53.81 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 1.64 111.356 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 1.2 mm -132.22 138.62 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.372 -0.376 . . . . 1.03 110.621 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 897' ' ' LEU . 16.9 t -116.92 135.19 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.222 -0.191 . . . . 0.67 110.588 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -124.97 108.52 11.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 0.87 110.203 175.11 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.402 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.7 OUTLIER -91.45 99.78 12.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.73 110.32 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 32.9 t0 -90.05 105.63 17.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.438 -0.801 . . . . 1.34 110.122 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.315 0.579 . . . . 1.29 112.019 -173.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.802 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 2.8 p90 . . . . . 0 CA--C 1.514 -0.413 0 CA-C-O 122.089 0.947 . . . . 2.84 110.712 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.614 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.46 -26.4 63.32 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.031 -0.986 . . . . 3.36 111.492 -162.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.522 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.06 -34.79 78.88 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.802 0.81 . . . . 2.34 109.104 -172.149 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.702 ' HA ' HD12 ' A' ' 890' ' ' ILE . 5.8 m -79.77 -27.11 40.47 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.578 -1.192 . . . . 1.28 110.078 178.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.469 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 2.0 tt0 -61.1 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.461 -0.57 . . . . 2.17 109.461 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.5 OUTLIER -60.36 -40.99 92.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.116 -0.947 . . . . 2.36 110.361 174.342 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 887' ' ' THR . 74.6 mt -56.61 -49.59 77.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.979 -0.555 . . . . 1.71 110.745 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.897 -0.592 . . . . 2.24 110.782 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.498 ' HG2' HH11 ' A' ' 889' ' ' ARG . 2.9 tp60 -62.23 -35.22 78.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.62 110.521 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -26.1 63.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 1.91 110.965 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 69.83 61.04 4.57 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.941 -0.647 . . . . 1.12 111.509 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.707 HD11 HD22 ' A' ' 897' ' ' LEU . 0.0 OUTLIER -89.53 145.88 24.98 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.838 0.351 . . . . 2.89 110.522 -175.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.47 68.49 1.38 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.49 111.682 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -164.68 146.26 6.67 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.151 -0.477 . . . . 1.4 110.602 -175.738 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -81.84 133.99 8.23 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.671 2.247 . . . . 0.73 112.156 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 3.3 t -110.56 114.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.64 110.445 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 1.032 HG23 ' HB2' ' A' ' 921' ' ' SER . 3.4 mt -98.55 106.95 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.704 . . . . 0.64 110.073 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . 0.42 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -83.93 103.87 2.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.685 -0.769 . . . . 0.48 112.57 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -81.43 94.24 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 173.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.443 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 1.8 p -102.28 152.71 20.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.426 0.528 . . . . 0.89 112.426 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 925' ' ' LYS . . . -135.69 103.15 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 1.19 110.563 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 44.56 72.3 0.21 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.946 -1.024 . . . . 2.7 112.869 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.876 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -105.15 28.76 6.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.943 -0.572 . . . . 2.81 110.123 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 11.4 mt 72.72 -67.8 0.25 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.189 -0.914 . . . . 3.93 111.981 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -137.4 67.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.971 0.415 . . . . 2.09 110.606 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.876 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 31.7 mp0 -58.96 -49.64 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.742 -0.663 . . . . 3.31 111.795 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -26.62 67.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.768 0.318 . . . . 3.58 110.605 -176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.24 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.3 -0.409 . . . . 2.29 110.32 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.802 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -74.52 -37.3 63.13 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 119.476 -0.89 . . . . 2.65 109.261 176.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.534 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -52.81 -40.34 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.421 0.451 . . . . 4.05 110.75 177.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.12 -29.39 54.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.399 -0.364 . . . . 1.65 111.245 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 915' ' ' LEU . 0.7 OUTLIER -70.21 -52.16 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 1.88 111.251 -177.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.4 -38.39 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 3.47 110.59 177.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.74 50.58 17.79 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.458 -0.792 . . . . 1.35 112.691 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -131.15 -6.06 3.62 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.231 -0.985 . . . . 1.02 112.852 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.836 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.5 mtm -85.64 -98.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.408 0.104 . . . . 2.01 110.87 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.4 t70 133.01 -55.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.227 1.811 . . . . 1.26 110.368 172.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 1.032 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -104.3 156.64 17.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.675 -0.239 . . . . 1.26 110.881 -177.131 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.38 135.03 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.372 . . . . 1.13 111.048 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.435 ' HB2' HG13 ' A' ' 902' ' ' VAL . 0.4 OUTLIER -132.82 -175.32 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.763 -0.458 . . . . 0.69 109.763 177.016 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 927' ' ' VAL . 0.3 OUTLIER -108.63 140.24 42.28 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.59 -0.522 . . . . 0.89 109.59 176.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.449 ' HE2' ' OD1' ' A' ' 875' ' ' ASP . 5.4 ttmm -46.52 -48.45 47.49 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.907 0.706 . . . . 1.11 112.907 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 51.0 Cg_endo -70.06 69.54 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.748 1.632 . . . . 1.01 112.487 175.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 924' ' ' SER . 0.1 OUTLIER -87.52 169.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.36 110.435 175.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.51 172.82 11.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.92 110.491 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -46.85 88.58 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.173 0.295 . . . . 0.92 111.685 -174.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 0.2 OUTLIER -75.52 -30.39 59.77 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.811 -0.356 . . . . 1.85 111.103 -177.188 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.99 -44.91 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 0.93 109.895 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.537 HG23 HD21 ' A' ' 847' ' ' LEU . 2.5 tt -69.98 -24.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 1.18 110.225 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -71.67 -48.2 49.17 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.24 -0.436 . . . . 1.9 111.295 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.431 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -67.32 -36.5 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.627 -0.429 . . . . 2.25 110.263 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 93.3 m -65.5 -49.55 68.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.743 0.306 . . . . 0.62 111.006 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.903 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.43 -49.66 76.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.86 110.568 179.281 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.6 m -65.61 -41.89 92.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.586 -0.734 . . . . 0.87 111.844 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -47.12 87.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 1.42 110.998 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.7 OUTLIER -73.19 -30.0 63.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 1.59 110.977 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.76 93.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.61 110.625 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -64.66 -36.7 85.12 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.802 -0.444 . . . . 1.87 109.802 176.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -63.5 -48.08 79.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.02 -0.536 . . . . 3.11 111.153 -177.096 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.8 m -75.37 -31.47 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.474 -0.33 . . . . 0.75 111.223 -178.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -75.69 -37.3 59.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.997 -0.281 . . . . 3.58 111.411 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -30.55 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 2.78 110.601 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 17.9 m -79.15 -21.45 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 1.34 110.615 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 3.53 110.936 -179.669 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.416 -0.587 . . . . 1.9 109.416 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.603 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 27.3 mtm -89.98 115.65 27.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 1.93 110.9 -174.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.957 ' HB ' HD21 ' A' ' 844' ' ' LEU . 0.9 OUTLIER -109.17 134.98 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.147 0.499 . . . . 0.47 110.569 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.64 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.7 OUTLIER -98.45 105.41 17.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.781 -0.645 . . . . 1.37 110.333 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.694 HG23 HD23 ' A' ' 840' ' ' LEU . 0.2 OUTLIER -92.12 104.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.572 0.701 . . . . 1.06 109.447 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.861 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 11.4 t -113.35 133.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.545 -0.752 . . . . 1.07 109.935 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -159.03 138.97 11.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.956 -0.387 . . . . 1.3 109.956 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -81.19 -7.51 59.58 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.171 0.804 . . . . 2.03 113.171 -175.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -122.82 96.57 45.08 Favored Pre-proline 0 N--CA 1.467 0.407 0 O-C-N 121.431 -0.793 . . . . 2.12 111.405 -174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -30.74 -52.0 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.769 1 C-N-CA 125.418 4.079 . . . . 1.12 116.305 -170.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.4 -41.94 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.155 0.503 . . . . 2.26 111.6 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.519 HD22 ' HA ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -78.52 -32.44 48.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.067 -0.346 . . . . 1.83 110.067 -178.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -57.97 -47.22 83.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 2.78 110.796 175.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -36.83 83.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.438 -0.346 . . . . 2.75 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -48.11 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 1.14 110.526 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.694 HD23 HG23 ' A' ' 829' ' ' VAL . 17.2 tp -61.42 -40.23 93.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.728 -0.669 . . . . 1.43 111.003 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.77 73.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.6 110.747 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.96 -49.09 71.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 1.34 110.244 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -39.55 72.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.608 0.567 . . . . 1.85 110.488 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.5 tp -62.38 -40.37 96.24 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.64 -0.709 . . . . 1.24 110.686 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.84 79.56 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.925 -0.655 . . . . 0.52 112.246 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -35.68 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.7 110.625 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.59 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.63 -34.94 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.035 -0.53 . . . . 1.56 110.847 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 99.25 20.11 18.98 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.836 -0.697 . . . . 0.62 112.287 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.71 165.99 10.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.385 -0.228 . . . . 1.22 110.385 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.9 OUTLIER -70.01 131.28 44.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 2.38 110.963 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.12 104.6 10.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.27 -0.423 . . . . 0.94 111.513 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.435 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -105.71 118.82 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.373 -0.603 . . . . 1.44 109.373 175.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.28 132.95 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.187 0.44 . . . . 0.62 112.187 -171.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.69 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -142.26 166.97 23.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.47 109.768 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.595 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 17.4 p-10 -147.02 73.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.245 0.545 . . . . 1.9 111.763 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t0 163.72 164.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.908 -1.042 . . . . 1.45 109.003 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -76.42 -46.11 12.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.175 -1.012 . . . . 0.58 110.604 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 861' ' ' LEU . 7.2 m -66.56 -29.01 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.429 . . . . 0.95 110.475 177.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 34.2 t0 -56.03 -42.89 77.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.67 -0.695 . . . . 0.84 110.369 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -64.2 -36.27 83.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 0.51 110.593 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.551 ' CD2' ' HG3' ' A' ' 889' ' ' ARG . 3.0 mp -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 1.85 110.624 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.86 -55.55 33.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 1.72 110.791 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.576 ' CG1' HD11 ' A' ' 828' ' ' LEU . 9.6 p -66.61 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 115.895 -0.593 . . . . 0.89 111.122 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -62.77 -37.37 86.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.072 0.463 . . . . 1.66 110.818 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.3 m -72.93 -26.81 61.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.781 -0.645 . . . . 0.82 111.151 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -82.52 -48.06 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 3.46 110.919 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -143.57 135.3 26.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.95 -0.568 . . . . 1.86 109.913 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.85 111.85 8.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.995 0.426 . . . . 3.12 111.767 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.64 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -88.13 151.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 1.06 109.326 174.187 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 12.2 m-20 -80.85 -54.88 5.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.537 -0.301 . . . . 1.64 111.774 -173.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 136.91 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.598 -0.273 . . . . 1.03 110.281 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 897' ' ' LEU . 52.9 t -108.95 129.93 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.654 -0.248 . . . . 0.67 110.489 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.41 99.18 6.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.664 -0.495 . . . . 0.87 109.664 172.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.861 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -104.18 109.61 21.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.73 110.87 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.584 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 35.4 t0 -95.29 117.98 31.24 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.596 0.712 . . . . 1.34 110.521 177.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.29 111.401 -174.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.739 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 2.8 p90 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 122.842 1.306 . . . . 2.84 109.619 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.75 ' HD3' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -66.94 -22.61 65.93 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.314 -0.866 . . . . 3.36 111.058 -170.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -45.97 89.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.578 0.704 . . . . 2.34 109.655 -169.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.716 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 3.8 m -73.04 -31.13 64.23 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.028 -0.987 . . . . 1.28 109.966 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.75 ' HB3' ' HD3' ' A' ' 885' ' ' ARG . 6.4 tt0 -59.98 -37.41 79.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.3 0.572 . . . . 2.17 110.27 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 861' ' ' LEU . 1.4 tpm_? -68.55 -37.78 80.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.347 -0.842 . . . . 2.36 110.382 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -37.2 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.686 0.279 . . . . 1.71 110.849 177.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.69 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -72.96 -41.77 64.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.94 0.4 . . . . 2.24 110.422 179.392 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 1.1 tp-100 -68.3 -25.3 65.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.992 -0.549 . . . . 2.62 110.604 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -50.97 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.002 -0.545 . . . . 1.91 110.302 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.17 87.55 0.71 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.674 -0.774 . . . . 1.12 111.881 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 2.89 110.935 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.37 32.35 5.37 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.435 0.636 . . . . 2.49 109.898 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 872' ' ' VAL . 1.1 pt? -156.28 155.72 29.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.49 -0.777 . . . . 1.4 109.747 -174.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.81 127.98 14.47 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 122.63 2.22 . . . . 0.73 111.97 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.916 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 57.0 t -106.47 113.62 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.559 0.695 . . . . 0.64 110.422 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 873' ' ' LEU . 7.2 mt -97.4 105.43 17.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.359 -0.837 . . . . 0.64 109.941 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . 0.471 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -86.51 109.47 3.4 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.852 -0.69 . . . . 0.48 112.277 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -89.09 128.42 41.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.451 -0.944 . . . . 1.04 108.451 174.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 924' ' ' SER . 4.7 p -144.72 162.01 37.79 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.936 -0.306 . . . . 0.89 111.036 -174.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -139.62 102.75 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.0 -0.28 . . . . 1.19 110.692 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t30 42.54 74.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.133 0.895 . . . . 2.7 112.706 176.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -103.2 22.39 14.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 2.81 110.169 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.71 73.72 0.47 Allowed 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.292 -0.867 . . . . 3.93 110.6 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . 73.17 56.61 0.11 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.75 -1.114 . . . . 2.09 111.078 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.534 ' HA ' ' OE1' ' A' ' 912' ' ' GLN . 9.0 pm0 -61.56 -31.36 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 3.31 110.187 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.87 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.889 -0.596 . . . . 3.58 110.02 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -71.93 -34.75 69.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.479 179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.664 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 3.3 mp0 -67.53 -38.17 83.81 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.326 -0.95 . . . . 2.65 108.764 173.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.428 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -54.17 -32.97 56.89 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.511 0.507 . . . . 4.05 111.15 177.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -29.99 52.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 1.65 111.206 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 912' ' ' GLN . 22.6 mt -72.99 -53.27 11.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.976 0.361 . . . . 1.88 111.976 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.739 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.23 -41.28 34.78 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.993 0.368 . . . . 3.47 111.993 -178.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . 0.69 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 52.18 52.07 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 114.058 1.132 . . . . 1.35 114.058 174.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -135.74 24.13 3.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.255 -0.974 . . . . 1.02 111.93 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.916 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.5 mtt -103.13 -120.41 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 2.01 111.296 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.544 ' H ' ' HB3' ' A' ' 919' ' ' MET . 31.4 t0 162.52 -52.78 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.799 1.24 . . . . 1.26 109.073 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -123.26 161.03 25.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.615 -0.72 . . . . 1.26 110.501 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 0.5 OUTLIER -144.62 132.64 21.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.972 -0.381 . . . . 1.13 109.972 177.216 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -176.73 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.56 -0.291 . . . . 0.69 110.569 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.1 OUTLIER -101.6 149.7 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.89 109.897 178.694 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -47.1 -49.81 49.41 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 113.467 0.914 . . . . 1.11 113.467 -178.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 56.6 Cg_endo -70.52 60.7 2.1 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.042 1.828 . . . . 1.01 113.825 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 924' ' ' SER . 56.0 t -79.4 102.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 1.36 109.922 173.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.92 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 0.92 111.261 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.56 -45.99 80.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.92 111.66 -176.351 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.74 -38.73 83.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.067 0.461 . . . . 1.85 110.626 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.07 -45.79 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 0.93 110.38 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.1 tt -65.57 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 1.18 110.409 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 1.9 110.398 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.0 -53.9 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 2.25 110.527 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -44.61 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.62 111.593 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -58.65 -59.98 4.55 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.86 111.167 -179.019 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.3 m -60.3 -42.32 95.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.87 111.716 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -49.05 62.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.283 . . . . 1.42 111.457 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -74.27 -29.59 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.013 -0.275 . . . . 1.59 111.324 -175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.66 -43.22 90.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.679 0.276 . . . . 0.61 110.29 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -72.06 -27.68 62.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 1.87 110.225 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 1.2 ttt180 -65.57 -47.35 76.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 3.11 110.057 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.2 -30.27 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 0.75 110.643 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -69.66 -38.01 76.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.451 0.167 . . . . 3.58 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -75.42 -27.68 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.635 0.255 . . . . 2.78 110.711 178.123 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.0 m -72.68 -35.7 67.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.203 0.525 . . . . 1.34 110.306 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 3.53 110.554 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . 0.474 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 1.4 tpp . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.232 -0.284 . . . . 1.9 110.232 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 3.7 mtm -95.04 124.52 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.265 -0.425 . . . . 1.93 110.817 -177.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -113.88 133.33 60.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.47 109.492 176.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.533 ' CB ' HG21 ' A' ' 869' ' ' ILE . 32.1 tp -107.93 114.14 27.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.873 0.368 . . . . 1.37 110.951 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.609 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -94.17 105.3 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 1.06 108.9 174.169 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.1 OUTLIER -109.25 82.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.672 -0.695 . . . . 1.07 110.672 -177.013 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 52.8 t0 -108.5 125.63 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.43 -0.582 . . . . 1.3 109.43 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . 0.809 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 0.7 OUTLIER -53.86 -36.69 62.88 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.922 0.764 . . . . 2.03 111.506 -179.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.4 OUTLIER -100.52 109.15 56.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 2.12 110.67 -175.356 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 9.5 Cg_endo -52.51 -28.71 37.29 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.482 2.788 . . . . 1.12 113.597 -175.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.9 OUTLIER -64.72 -46.7 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.141 0.496 . . . . 2.26 111.402 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.622 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.8 OUTLIER -83.6 -23.04 32.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.518 -0.549 . . . . 1.83 109.518 179.651 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.485 ' HD3' HG22 ' A' ' 853' ' ' THR . 2.1 ttm180 -60.7 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.405 -0.816 . . . . 2.78 110.561 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 838' ' ' ARG . 0.0 OUTLIER -68.91 -29.01 67.2 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.927 -0.309 . . . . 2.75 110.331 178.287 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 836' ' ' ASN . 2.7 mt -63.06 -51.28 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 1.14 110.47 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 829' ' ' VAL . 14.3 tp -63.08 -36.68 84.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 1.43 110.705 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.2 -28.23 68.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.6 111.289 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.37 -41.75 63.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 1.34 110.227 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.672 ' HG3' HD23 ' A' ' 929' ' ' LEU . 2.3 mp0 -62.37 -38.45 89.62 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.469 0.652 . . . . 1.85 109.808 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -61.63 -37.54 84.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.428 -0.806 . . . . 1.24 109.955 173.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.47 -33.21 85.69 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.396 -0.82 . . . . 0.52 112.388 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 -29.8 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.7 110.482 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -71.28 -44.9 64.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 1.56 110.16 174.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.51 24.63 25.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.62 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.2 175.46 5.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.307 -0.257 . . . . 1.22 110.307 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 825' ' ' MET . 4.1 mm-40 -66.59 124.03 21.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.852 0.358 . . . . 2.38 110.473 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.72 112.73 24.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.941 -0.572 . . . . 0.94 111.14 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.6 127.43 55.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.469 -0.567 . . . . 1.44 109.469 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.485 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -106.34 133.8 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.338 0.495 . . . . 0.62 112.338 -174.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.03 -172.29 3.85 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.417 -0.586 . . . . 0.47 109.417 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.809 ' HB2' ' HA ' ' A' ' 832' ' ' ASP . 12.6 p-10 -156.53 75.28 0.85 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.902 0.704 . . . . 1.9 112.902 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.66 ' HB3' ' H ' ' A' ' 859' ' ' ASP . 5.7 t0 164.13 162.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.379 0.672 . . . . 1.45 109.498 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.949 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -82.06 -35.89 19.9 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.332 -1.107 . . . . 0.58 110.332 172.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 13.1 m -73.28 -31.15 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.996 0.427 . . . . 0.95 110.117 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.66 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 7.8 t0 -76.06 -24.53 55.12 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.679 -0.489 . . . . 0.84 109.679 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -47.33 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 0.51 110.514 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.3 pp -73.55 -26.96 61.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.749 0.309 . . . . 1.85 110.672 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.95 -55.54 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.059 0.457 . . . . 1.72 110.229 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.55 -30.98 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.109 -0.496 . . . . 0.89 110.526 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -67.3 -32.46 73.45 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.417 -0.356 . . . . 1.66 111.195 176.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 67.2 m -66.53 -33.77 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.952 -0.388 . . . . 0.82 109.952 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 0.4 OUTLIER -74.69 -57.19 4.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.953 -0.567 . . . . 3.46 110.503 175.483 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 1.9 t-20 -124.68 123.62 40.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.549 -0.537 . . . . 1.86 109.549 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -71.41 89.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 3.12 110.894 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.533 HG21 ' CB ' ' A' ' 828' ' ' LEU . 1.4 mp -67.91 145.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.726 -0.67 . . . . 1.06 109.569 172.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -87.45 -68.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 1.64 111.098 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.485 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.1 mt -99.74 130.78 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.03 110.158 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.05 131.25 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.69 0.281 . . . . 0.67 111.564 -174.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.634 HD23 HD12 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -116.19 99.43 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.87 109.655 174.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.452 ' HA ' HG23 ' A' ' 830' ' ' VAL . 1.5 p -85.28 102.02 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.899 -0.408 . . . . 0.73 109.899 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 8.7 t0 -105.0 124.45 49.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.34 111.068 -173.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.93 -0.577 . . . . 1.29 110.745 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.627 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 1.1 p90 . . . . . 0 C--O 1.238 0.47 0 CA-C-O 121.426 0.632 . . . . 2.84 111.807 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.2 tmm_? -60.83 -30.45 70.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 3.36 111.737 -168.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.949 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 1.4 pp -76.94 -18.74 58.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.199 1.0 . . . . 2.34 108.315 -172.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 884' ' ' TYR . 73.4 m -70.06 -35.72 74.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.481 -1.69 . . . . 1.28 108.226 173.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 5.6 tt0 -64.13 -39.11 93.33 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.77 -1.105 . . . . 2.17 110.861 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.494 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.14 -36.8 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 2.36 110.474 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.94 -35.46 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.943 0.401 . . . . 1.71 109.992 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.49 ' NH1' ' HG3' ' A' ' 888' ' ' GLN . 1.4 ttm180 -65.07 -43.97 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.874 -0.603 . . . . 2.24 110.343 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -36.17 82.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 2.62 111.346 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.36 -23.01 61.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.527 . . . . 1.91 110.861 -178.069 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 98.67 82.86 1.69 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.8 -0.92 . . . . 1.12 110.8 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.508 ' HB3' HG23 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -79.3 128.89 33.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.82 0.819 . . . . 2.89 112.335 -172.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . 0.774 ' H ' HD22 ' A' ' 897' ' ' LEU . 0.1 OUTLIER -112.22 6.42 18.97 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.314 -1.365 . . . . 2.49 107.314 170.341 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 896' ' ' THR . 1.2 mm? -105.81 130.5 22.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 113.874 -1.512 . . . . 1.4 111.729 -163.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.18 106.73 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.69 2.26 . . . . 0.73 109.741 166.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.954 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 40.1 t -102.61 123.81 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.445 0.641 . . . . 0.64 112.14 -171.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.634 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -104.62 112.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.41 -0.813 . . . . 0.64 109.038 173.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.79 121.53 6.42 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.451 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.16 94.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.235 -0.654 . . . . 1.04 109.235 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.3 OUTLIER -96.9 163.02 13.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.054 -0.521 . . . . 0.89 111.693 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -121.68 104.2 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 1.19 111.703 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.9 t30 40.63 59.98 2.01 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.278 0.987 . . . . 2.7 113.097 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 909' ' ' GLU . . . -118.24 92.17 3.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.591 . . . . 2.81 109.403 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 126.68 2.82 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.603 0.564 . . . . 3.93 111.727 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 71.28 45.08 0.5 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.094 0.871 . . . . 2.09 111.049 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 906' ' ' ALA . 4.4 mt-10 -58.45 -42.66 87.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 3.31 110.238 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.103 -0.953 . . . . 3.58 110.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -36.38 57.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.167 -0.469 . . . . 2.29 110.239 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.553 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -71.94 -35.53 69.63 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.299 -0.56 . . . . 2.65 109.792 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -59.4 -40.76 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 4.05 110.068 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.89 -35.41 78.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 1.65 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -48.25 56.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.88 111.745 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.627 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 5.2 mm-40 -77.93 -23.38 48.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.191 -0.459 . . . . 3.47 111.328 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.6 m 52.11 53.0 13.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.787 1.403 . . . . 1.35 114.787 167.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.44 25.14 1.53 Allowed Glycine 0 C--O 1.226 -0.363 0 C-N-CA 119.968 -1.11 . . . . 1.02 113.108 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.954 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.5 ttm -111.67 -125.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.479 -0.424 . . . . 2.01 111.604 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.515 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.8 t70 177.2 -51.89 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.366 -0.834 . . . . 1.26 109.023 174.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 70.7 m -140.31 149.75 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.569 -0.741 . . . . 1.26 110.499 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.41 136.69 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 1.13 110.997 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.56 -175.46 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.69 109.084 177.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 903' ' ' THR . 2.1 m -128.53 158.31 38.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.704 -0.398 . . . . 0.89 110.94 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 4.4 tptp -45.5 -43.45 25.02 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 113.892 1.071 . . . . 1.11 113.892 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 32.1 Cg_endo -65.89 68.15 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.006 1.804 . . . . 1.01 113.549 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.64 177.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.36 110.175 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.13 167.16 24.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.401 -0.363 . . . . 0.92 110.451 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -54.47 -46.83 73.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.804 0.442 . . . . 0.92 111.774 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.32 -46.25 70.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.796 0.331 . . . . 1.85 110.594 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 19.0 t -60.58 -40.29 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 0.93 110.743 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -61.98 -47.33 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.18 110.447 178.185 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.564 -0.289 . . . . 1.9 111.421 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.58 -54.03 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 2.25 110.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.7 m -65.52 -42.93 91.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.971 -0.559 . . . . 0.62 111.54 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -64.18 -43.1 96.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.596 -0.274 . . . . 0.86 111.233 -177.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 41.6 m -68.46 -31.67 71.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 0.87 110.891 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -43.29 93.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.509 . . . . 1.42 110.4 175.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.97 -39.28 76.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.59 110.948 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.56 91.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.61 111.287 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -70.04 -35.69 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.912 -0.315 . . . . 1.87 110.261 178.384 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.558 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 73.3 mtt180 -60.97 -48.73 80.47 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.167 -0.469 . . . . 3.11 110.909 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 7.0 m -72.58 -31.24 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.75 110.989 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 3.58 110.857 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 1.7 ptmt -75.5 -29.46 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.775 0.287 . . . . 2.78 111.775 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.2 m -72.97 -47.77 42.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.939 -0.304 . . . . 1.34 111.387 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.535 -0.302 . . . . 3.53 110.814 -179.011 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.112 -0.329 . . . . 1.9 110.112 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.821 ' HB2' ' HA ' ' A' ' 869' ' ' ILE . 0.0 OUTLIER -86.12 117.79 25.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 1.93 109.749 -179.56 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.687 ' HB ' HD21 ' A' ' 844' ' ' LEU . 18.1 mm -116.55 132.08 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.526 . . . . 0.47 111.196 -175.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 109.98 21.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.717 -0.674 . . . . 1.37 110.231 178.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.679 HG13 HD22 ' A' ' 844' ' ' LEU . 0.6 OUTLIER -96.93 105.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.507 0.67 . . . . 1.06 109.705 175.89 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 50.9 t -109.93 139.72 31.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.68 -0.691 . . . . 1.07 110.641 -178.195 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 11.2 t0 -142.89 140.53 31.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.02 -1.104 . . . . 1.3 108.02 167.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . 0.584 ' HB3' HG12 ' A' ' 876' ' ' VAL . 1.3 p30 -72.34 -8.11 53.16 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 123.089 0.243 . . . . 2.03 111.532 -175.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -128.29 175.72 3.27 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.589 -0.523 . . . . 2.12 109.589 174.47 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.426 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 6.1 Cg_exo -81.97 -35.38 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.266 1.977 . . . . 1.12 113.84 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.418 HG23 ' HD2' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -64.28 -47.98 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.349 0.499 . . . . 2.26 112.349 -171.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -22.54 42.66 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.243 -0.583 . . . . 1.83 109.684 -178.388 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.0 ttp180 -61.47 -53.15 60.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.83 -0.623 . . . . 2.78 110.836 175.216 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -63.97 -32.62 74.22 Favored 'General case' 0 C--O 1.228 -0.034 0 C-N-CA 120.551 -0.46 . . . . 2.75 110.657 179.565 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.52 -52.97 55.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 1.14 110.33 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.55 -41.45 97.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.763 -0.653 . . . . 1.43 111.151 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.6 84.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.6 110.96 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.22 -45.14 93.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.993 0.425 . . . . 1.34 109.982 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.436 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -61.02 -48.41 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.634 -0.712 . . . . 1.85 110.864 179.586 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 847' ' ' LEU . 35.8 tp -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.24 111.159 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.08 -38.06 95.96 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.987 -0.551 . . . . 0.52 112.621 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.3 m -70.96 -25.11 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.7 110.741 178.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 844' ' ' LEU . 0.1 OUTLIER -75.68 -28.63 58.76 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.167 -0.679 . . . . 1.56 109.167 177.023 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.23 11.51 36.29 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.669 -0.696 . . . . 0.62 113.397 171.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -91.29 172.74 8.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.804 0.302 . . . . 1.22 110.251 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.657 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.4 tt0 -71.78 124.1 24.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.525 -0.307 . . . . 2.38 110.274 179.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.569 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.5 OUTLIER -101.04 104.91 16.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.275 -0.421 . . . . 0.94 111.222 -175.282 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.13 109.99 21.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.847 -0.427 . . . . 1.44 109.847 175.673 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.447 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -91.39 130.23 37.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.946 0.403 . . . . 0.62 111.893 -175.014 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -144.87 160.98 40.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.47 109.361 175.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.9 OUTLIER -131.44 70.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.192 -0.603 . . . . 1.9 111.697 -175.881 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.621 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.4 t0 161.42 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.539 -1.21 . . . . 1.45 108.447 171.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.603 ' HA3' ' CB ' ' A' ' 886' ' ' LEU . . . -72.85 -40.85 51.29 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.21 -0.995 . . . . 0.58 111.191 177.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 858' ' ' VAL . 0.4 OUTLIER -67.2 -31.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.95 110.337 175.84 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.68 -41.18 90.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.84 110.466 177.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -61.93 -40.37 95.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.092 -0.504 . . . . 0.51 111.047 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.2 OUTLIER -70.47 -33.23 71.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.1 0.476 . . . . 1.85 110.793 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -44.38 65.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.65 . . . . 1.72 109.484 178.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.8 -32.59 58.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.075 -0.966 . . . . 0.89 110.256 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.39 -35.62 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 1.66 110.679 174.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 31.8 m -77.61 -19.07 56.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.297 -0.411 . . . . 0.82 111.507 -177.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -52.97 3.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.966 0.412 . . . . 3.46 111.196 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.23 -173.41 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 1.86 110.111 -176.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -107.63 146.31 32.15 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.925 -0.769 . . . . 3.12 108.925 172.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.821 ' HA ' ' HB2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -154.46 151.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.749 -0.463 . . . . 1.06 109.749 -179.638 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.64 -49.56 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.948 0.404 . . . . 1.64 110.586 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 7.1 mm -128.17 139.77 50.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.286 -0.416 . . . . 1.03 110.726 -178.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.2 126.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.444 -0.344 . . . . 0.67 110.666 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -126.62 122.61 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.984 -0.376 . . . . 0.87 109.984 174.781 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.747 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -117.75 106.72 13.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.73 111.183 -178.159 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -83.41 106.91 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 1.34 109.66 176.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . 0.584 HG12 ' HB3' ' A' ' 832' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 112.064 0.394 . . . . 1.29 112.064 -172.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.909 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 6.6 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.433 0.635 . . . . 2.84 111.525 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.671 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.48 -26.71 63.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.772 . . . . 3.36 111.141 -166.166 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.603 ' CB ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -69.63 -28.65 66.09 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.988 0.899 . . . . 2.34 108.851 -172.461 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.7 m -81.0 -27.08 36.0 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.223 -1.353 . . . . 1.28 109.869 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.9 -44.6 78.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.272 0.558 . . . . 2.17 109.632 172.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.444 ' HB3' HD22 ' A' ' 861' ' ' LEU . 1.3 mmt180 -64.67 -38.68 91.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 2.36 110.814 176.349 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 899' ' ' VAL . 12.2 mt -62.67 -46.36 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.565 . . . . 1.71 111.573 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.713 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.0 OUTLIER -72.64 -25.79 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.678 0.275 . . . . 2.24 110.911 -178.128 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -42.43 95.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.189 -0.671 . . . . 2.62 109.189 173.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 893' ' ' LEU . 0.2 OUTLIER -70.66 -40.03 73.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.717 . . . . 1.91 110.268 177.119 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.53 44.25 4.04 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.914 -0.66 . . . . 1.12 112.19 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 890' ' ' ILE . 4.4 mp -55.35 129.86 40.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.89 111.045 178.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -93.99 18.78 10.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.731 -0.668 . . . . 2.49 110.927 -176.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.51 149.08 60.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.364 -0.38 . . . . 1.4 110.333 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.65 129.1 23.94 Favored 'Trans proline' 0 C--O 1.241 0.642 0 C-N-CA 122.987 2.458 . . . . 0.73 112.932 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.843 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 11.0 t -109.3 122.32 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.657 -0.702 . . . . 0.64 109.911 177.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.523 HG12 ' HB2' ' A' ' 921' ' ' SER . 23.1 mt -113.11 110.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 116.013 -0.54 . . . . 0.64 110.198 179.726 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.25 116.82 4.78 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.901 -0.666 . . . . 0.48 112.449 -177.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.801 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.9 t -87.98 96.84 6.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.842 -0.799 . . . . 1.04 108.842 175.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.471 HG22 HG23 ' A' ' 876' ' ' VAL . 36.6 p -126.75 137.27 53.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.464 -0.335 . . . . 0.89 110.523 -173.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.617 ' HB2' ' H ' ' A' ' 925' ' ' LYS . . . -142.61 107.83 4.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.78 -0.368 . . . . 1.19 111.784 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 84.83 45.19 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.381 1.05 . . . . 2.7 111.13 176.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.839 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -100.83 15.27 28.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 2.81 111.071 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.87 86.2 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.686 0.616 . . . . 3.93 111.215 176.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.23 65.67 0.86 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.722 -0.672 . . . . 2.09 110.556 -178.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.839 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 33.9 mp0 -63.82 -27.43 69.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.347 -0.842 . . . . 3.31 110.813 -179.115 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 0.1 OUTLIER -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 3.58 110.104 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 -39.07 64.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 2.29 110.734 179.06 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.909 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -70.67 -27.54 64.11 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.349 -0.54 . . . . 2.65 109.742 178.104 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.737 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -59.74 -43.38 94.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.748 -0.66 . . . . 4.05 110.347 173.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.25 -26.27 67.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.65 110.473 174.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.4 mp -71.67 -52.41 18.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.295 0.48 . . . . 1.88 112.295 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.737 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -77.11 -47.73 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 120.09 -0.644 . . . . 3.47 110.608 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . 0.631 ' HA ' ' NH2' ' A' ' 913' ' ' ARG . 10.4 m 49.07 51.34 16.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.963 1.098 . . . . 1.35 113.963 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.713 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -139.22 12.22 3.29 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.195 -1.002 . . . . 1.02 112.084 171.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.843 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 mtm -87.81 -108.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.465 -0.368 . . . . 2.01 110.843 -172.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.8 t70 159.47 -56.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.464 1.106 . . . . 1.26 109.155 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.523 ' HB2' HG12 ' A' ' 900' ' ' ILE . 50.7 m -135.47 163.97 28.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 1.26 110.299 -178.042 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 138.93 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 1.13 110.614 -178.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 902' ' ' VAL . 0.1 OUTLIER -127.87 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.407 . . . . 0.69 109.952 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.551 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.8 OUTLIER -106.45 157.77 17.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.677 -0.238 . . . . 0.89 110.405 179.335 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.617 ' H ' ' HB2' ' A' ' 904' ' ' ALA . 0.1 OUTLIER -50.12 -40.97 61.59 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.63 0.974 . . . . 1.11 113.63 -177.463 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 20.7 Cg_exo -68.36 60.1 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.186 1.924 . . . . 1.01 113.308 175.152 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.1 98.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.037 0.446 . . . . 1.36 110.283 175.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.27 -178.08 6.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.96 -0.564 . . . . 0.92 111.424 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 933' ' ' LYS . 0.7 OUTLIER -57.2 -46.18 83.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.171 -0.468 . . . . 0.92 111.162 -178.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -36.47 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.597 -0.274 . . . . 1.85 111.076 -177.438 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.29 -47.09 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.091 -0.337 . . . . 0.93 110.091 178.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.81 -30.46 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.79 0.328 . . . . 1.18 110.48 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.09 -48.47 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 1.9 111.698 -177.608 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.9 OUTLIER -67.98 -40.68 83.09 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.608 -0.437 . . . . 2.25 110.643 -178.674 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.9 m -60.68 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.825 0.345 . . . . 0.62 110.901 177.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -63.22 -55.85 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.86 111.331 -178.836 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 43.4 m -60.01 -44.13 94.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.87 112.094 -174.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -70.59 -37.1 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 1.42 111.734 -176.094 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.468 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 0.6 OUTLIER -83.16 -30.51 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.494 -0.482 . . . . 1.59 111.611 -177.059 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.66 88.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.743 0.306 . . . . 0.61 110.212 176.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.98 -32.58 59.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 1.87 110.114 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -62.07 -48.84 78.41 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.376 -0.374 . . . . 3.11 110.292 179.43 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.7 m -71.59 -30.56 39.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.899 0.38 . . . . 0.75 110.408 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.84 77.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 3.58 111.095 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -26.64 36.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.862 0.319 . . . . 2.78 111.862 -177.12 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 25.2 m -76.37 -50.95 12.89 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.711 -0.396 . . . . 1.34 111.267 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 3.53 111.2 -176.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . 0.541 ' HB3' ' HD2' ' A' ' 849' ' ' TYR . 13.4 ttm . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.282 0.563 . . . . 1.9 110.064 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.585 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 49.2 ttm -86.51 111.12 20.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.93 110.862 -178.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.663 HG23 ' HB ' ' A' ' 871' ' ' ILE . 0.2 OUTLIER -106.9 142.96 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.816 -0.629 . . . . 0.47 109.717 177.907 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.558 HD21 HG11 ' A' ' 863' ' ' VAL . 3.4 mt -94.93 106.57 18.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.591 -0.277 . . . . 1.37 111.144 -178.354 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 840' ' ' LEU . 3.0 m -91.17 95.43 5.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.678 0.751 . . . . 1.06 109.617 175.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.694 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 16.6 t -114.06 136.47 50.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.71 -0.677 . . . . 1.07 110.856 -175.834 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.606 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 2.7 t70 -158.65 131.04 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.884 -0.784 . . . . 1.3 108.884 169.232 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -15.75 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.632 0.605 . . . . 2.03 112.632 -171.249 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -123.99 92.96 47.76 Favored Pre-proline 0 C--N 1.328 -0.351 0 O-C-N 121.9 -0.5 . . . . 2.12 110.811 178.75 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 33.0 Cg_exo -21.01 -37.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.991 1 C-N-CA 127.562 5.508 . . . . 1.12 118.971 -168.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -56.3 -46.54 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 119.0 0.818 . . . . 2.26 112.375 -175.237 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -78.5 -29.5 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.855 -0.528 . . . . 1.83 109.882 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 1.7 ttp180 -58.07 -50.16 74.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 2.78 111.418 175.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.458 -0.337 . . . . 2.75 110.409 -179.777 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.81 78.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 1.14 110.357 176.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 829' ' ' VAL . 49.5 tp -66.76 -41.41 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.728 -0.669 . . . . 1.43 110.698 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.06 74.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.6 110.84 178.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.68 -44.52 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.34 110.421 177.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.9 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.9 OUTLIER -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 1.85 110.649 179.293 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' ' 827' ' ' ILE . 27.8 tp -65.8 -33.92 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.976 0.417 . . . . 1.24 110.608 177.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.55 72.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.08 -0.581 . . . . 0.52 111.963 176.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.6 m -82.26 -22.04 35.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.085 0.469 . . . . 0.7 110.094 175.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 -33.97 60.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.683 -0.69 . . . . 1.56 109.864 175.054 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 97.02 29.75 7.86 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.512 -0.767 . . . . 0.62 112.178 177.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . 0.541 ' HD2' ' HB3' ' A' ' 825' ' ' MET . 57.3 m-85 -116.5 156.48 26.83 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.37 -0.132 . . . . 1.22 110.673 -178.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.585 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 58.4 mt-30 -64.91 120.89 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 2.38 110.561 -177.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 100.45 9.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.043 0.449 . . . . 0.94 110.894 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 826' ' ' MET . 0.1 OUTLIER -87.9 113.33 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.403 -0.591 . . . . 1.44 109.403 176.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.64 128.02 36.48 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.615 0.598 . . . . 0.62 112.615 -170.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.461 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -143.19 168.63 19.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.34 -0.846 . . . . 0.47 108.909 174.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -141.45 72.73 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.042 -0.663 . . . . 1.9 112.373 -178.638 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 5.6 t70 163.76 157.88 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.932 0.893 . . . . 1.45 109.389 174.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 1.03 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -71.25 -39.61 62.04 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.545 -0.836 . . . . 0.58 111.243 177.349 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.479 HG22 ' OD1' ' A' ' 856' ' ' ASP . 35.2 m -72.84 -30.27 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.95 110.148 177.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 14.0 t0 -60.2 -42.82 95.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.82 -0.627 . . . . 0.84 110.43 177.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -65.83 -38.96 90.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.51 111.252 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -69.63 -32.91 71.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.904 0.383 . . . . 1.85 110.423 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -42.19 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 1.72 111.073 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.558 HG11 HD21 ' A' ' 828' ' ' LEU . 10.2 p -72.71 -31.27 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.52 -0.309 . . . . 0.89 110.233 178.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -56.97 -45.12 83.13 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.169 -0.469 . . . . 1.66 110.727 175.649 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -33.02 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.82 111.389 -177.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -36.72 42.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.449 -0.341 . . . . 3.46 111.637 -176.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -111.5 -124.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.192 -0.299 . . . . 1.86 110.192 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -142.19 -73.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.604 -0.517 . . . . 3.12 109.604 178.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.519 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.5 mp 66.8 144.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.64 0.588 . . . . 1.06 111.003 -177.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.37 -49.62 3.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.043 -0.411 . . . . 1.64 111.038 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.663 ' HB ' HG23 ' A' ' 827' ' ' ILE . 4.8 mt -125.28 137.14 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.524 -0.307 . . . . 1.03 110.288 179.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.417 HG22 HD12 ' A' ' 828' ' ' LEU . 46.6 t -114.61 131.09 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.775 -0.193 . . . . 0.67 111.437 -177.402 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.24 99.2 6.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.16 -0.681 . . . . 0.87 109.16 171.515 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.694 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.8 p -104.1 106.22 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.728 0.299 . . . . 0.73 110.896 -176.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 49.5 t0 -99.72 138.97 36.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 1.34 110.572 178.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.363 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.726 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.9 p90 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.494 0.664 . . . . 2.84 110.925 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.628 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -59.39 -26.84 65.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.68 0.752 . . . . 3.36 111.803 -164.233 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 1.03 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -79.26 -24.57 42.9 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.613 -0.884 . . . . 2.34 108.613 -171.352 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 890' ' ' ILE . 17.3 m -73.48 -28.82 62.14 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.065 -1.425 . . . . 1.28 109.268 175.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 3.2 tp-100 -59.84 -41.96 92.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.412 -0.813 . . . . 2.17 109.093 173.429 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.473 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -61.26 -36.43 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.499 -0.773 . . . . 2.36 110.653 174.734 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 887' ' ' THR . 88.1 mt -65.25 -37.97 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.324 -0.398 . . . . 1.71 110.978 176.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.447 ' NH2' HE22 ' A' ' 888' ' ' GLN . 0.0 OUTLIER -64.19 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 2.24 110.686 178.501 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -80.42 -29.99 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.773 -0.649 . . . . 2.62 110.241 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -46.53 74.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.609 -0.723 . . . . 1.91 109.972 176.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 124.6 78.14 0.34 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.962 -0.637 . . . . 1.12 111.758 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.786 HD22 ' HA2' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -78.91 136.12 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.258 0.552 . . . . 2.89 111.03 -178.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . 0.49 ' H ' HD23 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -147.92 29.04 0.91 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.547 -0.752 . . . . 2.49 109.25 172.78 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 896' ' ' THR . 0.7 OUTLIER -145.27 153.79 52.87 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.836 -1.074 . . . . 1.4 109.502 -176.589 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 14.6 Cg_exo -69.42 117.34 5.0 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.833 2.355 . . . . 0.73 112.676 -178.361 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.853 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -111.16 122.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.389 0.614 . . . . 0.64 110.562 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.621 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -108.46 111.45 36.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.856 -0.611 . . . . 0.64 109.771 177.201 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.44 108.59 3.69 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.698 -0.763 . . . . 0.48 112.702 -175.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 2.9 t -80.46 120.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.761 -0.829 . . . . 1.04 108.761 174.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.7 p -136.48 151.87 49.93 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.29 -0.564 . . . . 0.89 111.951 -172.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -79.34 165.07 23.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 1.19 109.407 171.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.85 -74.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.522 0.514 . . . . 2.7 110.295 -177.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 54.59 43.88 29.55 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.991 0.516 . . . . 2.81 112.066 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 2.0 mp -98.29 -41.18 7.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.443 . . . . 3.93 110.142 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -111.47 47.16 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.656 . . . . 2.09 110.204 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -69.33 -39.06 78.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 3.31 110.814 -177.054 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.23 -42.15 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.054 0.454 . . . . 3.58 109.882 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -42.16 89.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.556 -0.747 . . . . 2.29 110.971 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.726 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 5.0 mt-30 -72.58 -35.31 67.89 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.299 -0.56 . . . . 2.65 111.07 -177.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.769 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 2.1 ttp-105 -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.367 . . . . 4.05 110.93 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 28.4 m -74.75 -28.01 60.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.138 0.494 . . . . 1.65 109.81 174.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -72.2 -52.88 14.47 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.665 -0.698 . . . . 1.88 112.329 -178.605 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.769 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -78.65 -37.7 41.35 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.006 -0.678 . . . . 3.47 110.467 -178.025 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 47.74 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.901 0.75 . . . . 1.35 112.373 177.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . 0.786 ' HA2' HD22 ' A' ' 895' ' ' LEU . . . -144.7 11.91 1.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.106 -1.045 . . . . 1.02 112.635 176.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.853 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -100.22 -116.21 0.16 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.081 0.467 . . . . 2.01 111.652 -173.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.9 t70 172.49 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.14 -1.43 . . . . 1.26 107.14 -178.049 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 5.5 m -148.66 159.77 43.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.111 -0.949 . . . . 1.26 109.854 176.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 62.4 m -114.73 150.59 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.664 0.269 . . . . 1.13 110.603 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 902' ' ' VAL . 5.9 mt -131.37 167.72 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.856 -0.424 . . . . 0.69 109.856 178.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.99 143.81 25.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.437 -0.347 . . . . 0.89 110.309 178.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.551 ' HA ' HG12 ' A' ' 902' ' ' VAL . 2.4 tttp -48.54 -50.16 60.33 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 113.437 0.903 . . . . 1.11 113.437 -178.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.0 Cg_exo -75.34 58.6 5.16 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.339 2.026 . . . . 1.01 113.313 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.02 146.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 1.36 110.603 175.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.18 179.85 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 0.92 111.263 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.9 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -62.56 -47.98 81.47 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.686 0.279 . . . . 0.92 111.714 -172.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.23 -41.95 63.16 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.846 -0.342 . . . . 1.85 110.429 -175.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.14 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.939 -0.573 . . . . 0.93 110.539 177.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.664 HG23 HD23 ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.82 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 1.18 110.146 176.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -48.21 76.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 1.9 111.846 -178.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -60.55 -48.83 80.04 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.952 0.406 . . . . 2.25 110.556 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 4.1 m -63.05 -45.52 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.62 111.749 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.664 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.41 -46.19 80.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.717 -0.22 . . . . 0.86 111.134 -178.418 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 48.2 m -62.97 -42.04 99.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.408 -0.36 . . . . 0.87 111.041 -178.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 1.42 111.263 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 942' ' ' ARG . 7.9 m-85 -78.31 -34.11 48.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 1.59 111.063 -178.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -62.72 -42.92 99.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.61 110.513 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.64 -24.55 58.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.441 -0.345 . . . . 1.87 110.373 177.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -67.06 -47.97 69.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 3.11 110.241 177.555 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.25 -30.81 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.75 110.226 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -63.94 -46.9 82.65 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.142 -0.481 . . . . 3.58 110.688 177.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -72.33 -24.74 61.35 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.135 -0.226 . . . . 2.78 111.303 -179.121 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.7 m -81.51 -23.69 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 1.34 111.512 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 3.53 111.088 -178.605 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.054 -0.721 . . . . 1.9 109.054 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.913 ' HG2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.14 114.34 26.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.166 0.508 . . . . 1.93 111.189 -172.798 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.4 mm -112.41 131.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.032 -0.531 . . . . 0.47 110.53 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.622 HD13 HG11 ' A' ' 863' ' ' VAL . 11.3 tp -102.17 118.42 36.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.986 -0.552 . . . . 1.37 110.117 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -112.51 116.99 54.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 1.06 110.233 -176.847 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.93 HG12 ' HB3' ' A' ' 854' ' ' ALA . 7.5 m -123.08 140.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.836 -0.346 . . . . 1.07 110.643 176.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.574 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 7.8 t70 -143.99 131.76 21.37 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 1.3 108.885 169.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -74.88 21.06 0.12 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.47 0.652 . . . . 2.03 111.834 -178.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.661 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 6.9 m80 -140.9 161.86 51.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.411 -0.959 . . . . 2.12 108.411 179.133 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.87 -27.91 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.176 1.918 . . . . 1.12 112.733 177.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.7 OUTLIER -71.1 -48.87 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.127 0.417 . . . . 2.26 112.127 -173.631 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -26.37 29.34 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.415 -0.514 . . . . 1.83 110.215 -177.068 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -53.73 -47.72 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.3 0.571 . . . . 2.78 109.754 171.574 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.554 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.86 -49.97 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.215 -0.902 . . . . 2.75 110.692 178.105 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.554 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -69.89 -40.56 75.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.92 -0.582 . . . . 1.14 112.263 -169.507 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.474 HD23 HG23 ' A' ' 829' ' ' VAL . 27.4 tp -71.16 -36.21 71.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.994 -0.548 . . . . 1.43 110.254 -179.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.6 110.155 174.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.7 -56.21 24.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.449 -0.796 . . . . 1.34 110.009 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.829 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.88 -38.03 89.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 1.85 111.298 -178.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 827' ' ' ILE . 36.9 tp -65.39 -33.94 77.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 1.24 110.43 177.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.56 -38.46 94.73 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.903 -0.665 . . . . 0.52 111.701 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.2 m -69.33 -29.42 67.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.7 110.732 177.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.2 OUTLIER -63.48 -30.67 71.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.276 0.56 . . . . 1.56 110.424 177.513 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.27 32.02 15.13 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.62 112.337 177.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -113.83 164.9 13.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.219 -0.289 . . . . 1.22 110.219 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 118.09 10.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.501 -0.318 . . . . 2.38 110.231 178.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.56 118.49 36.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.76 0.314 . . . . 0.94 111.375 -176.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 110.9 16.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.2 -0.667 . . . . 1.44 109.2 174.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 829' ' ' VAL . 0.2 OUTLIER -96.52 142.12 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.514 0.673 . . . . 0.62 112.734 -172.619 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.93 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -149.99 -168.3 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.875 -1.057 . . . . 0.47 108.563 174.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 18.1 p-10 -157.06 73.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.15 -0.62 . . . . 1.9 111.164 -176.058 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 1.011 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 11.6 t0 163.43 148.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.078 -0.965 . . . . 1.45 109.019 177.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.442 ' HA3' HD23 ' A' ' 886' ' ' LEU . . . -73.24 -38.36 54.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.626 -0.797 . . . . 0.58 111.783 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.97 -31.69 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.182 -0.303 . . . . 0.95 110.182 177.761 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 1.011 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.2 OUTLIER -67.17 -27.64 67.46 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.84 110.181 175.748 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.498 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -62.0 -52.57 63.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.705 -0.68 . . . . 0.51 110.665 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 890' ' ' ILE . 1.2 pp -72.73 -28.05 62.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 1.85 110.691 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.16 -44.46 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.72 109.767 173.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -64.75 -32.76 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.539 -0.755 . . . . 0.89 110.322 177.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.66 110.582 176.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 1.3 m -80.92 -19.15 44.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.157 0.503 . . . . 0.82 110.654 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -77.88 -48.38 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 3.46 110.495 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 868' ' ' HIS . 22.5 t30 -128.97 -104.84 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 1.86 110.127 -179.668 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 867' ' ' ASN . 1.5 t-80 -178.14 144.9 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.261 -0.644 . . . . 3.12 109.261 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.913 HG13 ' HG2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -150.84 148.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.362 -0.607 . . . . 1.06 109.362 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.26 -46.37 8.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.64 111.055 -175.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 827' ' ' ILE . 11.8 mm -120.56 125.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.486 -179.133 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.612 HG23 HD11 ' A' ' 897' ' ' LEU . 75.8 t -108.36 132.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.796 -0.184 . . . . 0.67 110.983 -178.543 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -127.23 113.84 16.86 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.093 -0.336 . . . . 0.87 110.093 174.5 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -107.6 101.67 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.73 111.301 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.787 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 39.2 t0 -81.62 108.72 15.41 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.498 0.666 . . . . 1.34 110.682 178.476 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.028 -0.987 . . . . 1.29 111.233 -175.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.66 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 25.1 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.902 0.858 . . . . 2.84 110.204 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.23 -24.64 28.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.16 0.981 . . . . 3.36 110.09 -174.478 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -62.66 -35.68 80.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.682 -1.145 . . . . 2.34 108.598 -175.768 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 890' ' ' ILE . 54.2 m -76.23 -27.02 56.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.469 -1.696 . . . . 1.28 109.502 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 23.7 tp60 -58.92 -36.37 74.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 2.17 109.542 174.493 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.477 ' O ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -66.94 -38.8 86.81 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.396 -0.365 . . . . 2.36 110.099 174.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.825 HG23 ' HB2' ' A' ' 895' ' ' LEU . 8.9 mt -55.22 -48.47 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.211 -0.449 . . . . 1.71 110.703 175.223 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -65.44 -38.89 91.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 2.24 110.446 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -42.57 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 2.62 110.785 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.5 -47.71 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.91 110.092 177.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.52 24.09 2.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.478 -0.867 . . . . 1.12 112.559 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.825 ' HB2' HG23 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -83.69 120.87 26.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 2.89 109.875 178.534 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.9 t -115.57 9.72 15.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.353 0.597 . . . . 2.49 110.937 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 872' ' ' VAL . 0.4 OUTLIER -72.66 159.0 86.44 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.4 110.195 179.349 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 897' ' ' LEU . 18.5 Cg_endo -59.76 104.88 0.24 Allowed 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.811 2.341 . . . . 0.73 113.038 -177.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.825 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 43.1 t -105.16 115.69 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.993 -0.549 . . . . 0.64 110.169 175.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 2.0 mt -106.38 110.35 31.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.995 -0.548 . . . . 0.64 109.826 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -88.45 122.33 6.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.608 -0.806 . . . . 0.48 112.259 -177.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.787 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 3.0 t -82.6 94.04 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 174.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 16.8 p -101.91 124.47 47.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.001 -0.545 . . . . 0.89 111.748 -171.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.827 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -103.9 105.35 15.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 1.19 110.067 174.176 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 56.91 70.03 0.69 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.857 0.723 . . . . 2.7 111.563 -178.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -104.49 27.95 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 2.81 110.072 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.457 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.1 OUTLIER 57.63 -110.8 0.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 3.93 110.342 -175.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -101.91 92.67 4.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.744 -0.465 . . . . 2.09 109.744 175.582 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.2 -38.55 83.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 3.31 111.816 -174.288 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -36.24 74.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 3.58 110.902 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -71.57 -39.56 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.337 -0.392 . . . . 2.29 110.442 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.66 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.6 mp0 -69.88 -29.61 66.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.585 -0.524 . . . . 2.65 109.585 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.511 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 11.4 mtm-85 -68.33 -26.37 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 4.05 110.548 176.01 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -72.99 -29.09 62.78 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.647 -0.501 . . . . 1.65 109.647 172.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 912' ' ' GLN . 41.6 mt -73.13 -54.28 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.88 112.18 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.31 -43.9 22.68 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 3.47 111.321 -178.107 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 40.0 m 51.14 51.96 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.604 0.964 . . . . 1.35 113.604 175.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -146.11 11.82 1.62 Allowed Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.301 -0.952 . . . . 1.02 111.889 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.825 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.2 OUTLIER -91.83 -117.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.036 0.446 . . . . 2.01 111.471 -173.51 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.494 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.1 t70 172.61 -57.92 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.482 -0.781 . . . . 1.26 109.056 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 900' ' ' ILE . 43.1 m -148.65 156.54 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.213 -0.903 . . . . 1.26 110.251 -177.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.443 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 98.4 m -125.73 134.39 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.837 0.351 . . . . 1.13 110.696 178.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.33 -178.26 3.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.546 . . . . 0.69 109.549 177.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 6.7 m -106.14 155.24 19.64 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.061 -0.348 . . . . 0.89 110.061 176.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.827 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 19.0 tttp -53.03 -47.88 94.01 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.078 0.77 . . . . 1.11 113.078 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 60.0 Cg_endo -72.6 66.13 3.8 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.0 1.8 . . . . 1.01 113.012 177.158 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.04 116.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.198 0.523 . . . . 1.36 110.319 176.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.06 166.12 17.97 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.836 -0.62 . . . . 0.92 110.531 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.829 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -58.68 -37.75 76.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.97 0.415 . . . . 0.92 110.071 177.324 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.71 -56.96 15.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.593 -0.731 . . . . 1.85 110.292 -178.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 46.5 t -60.9 -46.19 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.475 -0.784 . . . . 0.93 110.956 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.643 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 5.4 mt -57.73 -43.62 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 1.18 111.095 -178.148 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -48.25 70.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.793 0.294 . . . . 1.9 111.793 -176.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . 0.425 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.7 OUTLIER -66.49 -41.97 88.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 2.25 111.202 -176.245 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.9 m -72.89 -41.99 64.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.599 0.222 . . . . 0.62 111.599 -178.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -67.07 -49.04 66.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.471 0.177 . . . . 0.86 110.799 -176.833 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 6.6 m -65.55 -36.45 83.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.508 -0.314 . . . . 0.87 111.038 -178.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.57 -41.79 98.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.804 0.335 . . . . 1.42 110.793 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 943' ' ' VAL . 13.1 m-30 -82.93 -28.63 29.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.441 -0.345 . . . . 1.59 111.265 -177.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.03 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.526 -0.546 . . . . 0.61 109.526 174.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.98 76.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.87 109.421 174.09 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -59.49 -47.59 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 3.11 110.916 -178.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 939' ' ' TYR . 2.5 m -74.85 -33.63 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.859 -0.337 . . . . 0.75 110.747 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.93 98.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 3.58 110.811 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -18.76 37.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.633 0.254 . . . . 2.78 110.985 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 31.2 m -65.72 -33.38 75.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.138 0.494 . . . . 1.34 109.85 175.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 3.53 109.855 172.761 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.455 -0.225 0 CA-C-O 121.102 0.477 . . . . 1.9 110.306 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.419 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.8 OUTLIER -83.54 121.54 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 1.93 110.659 179.232 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.785 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.5 mm -118.57 143.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.47 109.947 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.573 HD11 HG13 ' A' ' 863' ' ' VAL . 0.8 OUTLIER -99.51 103.8 15.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.381 -0.372 . . . . 1.37 110.76 -178.756 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.582 HG13 HD22 ' A' ' 844' ' ' LEU . 1.1 m -88.54 95.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.711 0.767 . . . . 1.06 109.648 175.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.0 t -106.75 131.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.38 -0.827 . . . . 1.07 109.857 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 0.8 OUTLIER -157.07 135.32 11.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.033 -0.358 . . . . 1.3 110.033 171.883 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -4.3 58.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.114 -0.494 . . . . 2.03 112.197 -174.126 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 1.9 t-160 -118.86 85.28 27.92 Favored Pre-proline 0 N--CA 1.465 0.29 0 O-C-N 122.042 -0.412 . . . . 2.12 110.791 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 10.3 Cg_exo -22.43 -49.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 126.506 4.804 . . . . 1.12 117.561 -168.091 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -36.67 48.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 118.242 0.474 . . . . 2.26 111.74 -177.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -44.44 61.02 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.747 -0.464 . . . . 1.83 109.747 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.509 ' HD3' HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -53.97 -40.84 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.006 0.522 . . . . 2.78 110.908 175.489 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.82 -51.35 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 2.75 110.485 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . 0.502 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -78.09 -25.45 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.852 -0.613 . . . . 1.14 111.072 -173.769 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' A' ' 829' ' ' VAL . 23.0 tp -71.69 -43.44 65.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.563 -0.744 . . . . 1.43 109.951 178.19 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.56 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.872 -0.603 . . . . 0.6 110.114 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.83 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 1.34 109.772 175.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.689 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.78 -47.95 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 1.85 110.858 178.129 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.785 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.1 tp -61.78 -37.55 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 1.24 111.229 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -27.01 72.43 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.009 -0.615 . . . . 0.52 112.02 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.7 m -77.02 -25.08 52.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.7 110.158 176.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 844' ' ' LEU . 4.0 mt -77.81 -24.36 48.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.373 176.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 88.37 21.14 45.86 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.828 -0.701 . . . . 0.62 112.759 177.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' A' ' 847' ' ' LEU . 18.7 m-85 -105.41 171.11 7.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.764 0.316 . . . . 1.22 110.437 179.245 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.63 118.66 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 2.38 110.748 -178.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . 0.595 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.51 99.81 11.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.4 . . . . 0.94 111.211 -179.45 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -89.02 122.33 32.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.307 -0.627 . . . . 1.44 109.307 175.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.509 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.45 137.72 32.13 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 0.62 112.567 -171.217 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.51 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -155.67 168.3 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.178 -0.675 . . . . 0.47 109.178 173.714 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 8.1 p-10 -151.46 73.18 1.07 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.025 -0.67 . . . . 1.9 112.782 -177.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 31.3 t70 163.73 157.73 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.663 0.785 . . . . 1.45 109.518 173.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.45 -50.07 57.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.86 . . . . 0.58 111.944 178.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.641 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -74.0 -28.5 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.95 110.763 179.377 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.765 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 27.6 t0 -57.08 -34.41 68.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.352 -0.386 . . . . 0.84 110.527 176.358 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.604 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.73 -33.63 70.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.51 110.699 177.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . 0.641 HD13 ' HA ' ' A' ' 858' ' ' VAL . 7.4 mp -71.07 -41.08 71.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 1.85 110.246 178.426 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -51.93 67.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.484 -0.78 . . . . 1.72 110.557 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.573 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.38 -32.34 52.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.389 -0.369 . . . . 0.89 110.934 -179.503 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -64.03 -38.02 89.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.16 0.505 . . . . 1.66 111.079 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.1 m -72.6 -30.51 64.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.82 110.856 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -38.84 47.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 3.46 110.924 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -145.29 130.44 18.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.623 -0.51 . . . . 1.86 109.623 178.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 84.1 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.121 0.486 . . . . 3.12 111.702 -174.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.493 HD13 ' HG ' ' A' ' 828' ' ' LEU . 2.8 mp -68.64 147.6 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.153 -0.93 . . . . 1.06 109.871 171.351 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 5.4 t0 -84.86 -52.81 5.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.974 0.416 . . . . 1.64 111.796 -174.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.9 mm -108.49 121.49 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.592 -0.276 . . . . 1.03 110.425 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 828' ' ' LEU . 13.2 t -110.13 132.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.887 -0.325 . . . . 0.67 110.862 -178.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -130.33 111.16 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.79 -0.448 . . . . 0.87 109.79 173.12 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.596 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -102.49 102.66 12.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.73 111.201 -176.383 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 50.4 t0 -89.16 120.84 30.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.703 -0.68 . . . . 1.34 110.052 176.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 1.29 110.857 -176.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.723 ' HB3' ' HG3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 122.668 1.223 . . . . 2.84 112.013 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.71 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.46 -26.19 68.61 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.323 -0.853 . . . . 3.36 112.95 -158.109 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.506 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -70.12 -31.0 68.33 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.329 1.061 . . . . 2.34 108.355 -169.184 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 2.9 m -79.23 -26.83 42.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.815 -1.538 . . . . 1.28 109.182 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 2.9 tm0? -60.79 -45.82 92.9 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.586 -0.734 . . . . 2.17 109.808 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.03 83.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.44 -0.8 . . . . 2.36 110.371 175.241 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 887' ' ' THR . 71.4 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.881 0.372 . . . . 1.71 111.076 175.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 2.24 110.67 178.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -61.3 -36.06 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 2.62 110.485 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -38.49 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 1.91 110.805 177.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 87.71 56.01 2.19 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.853 -0.899 . . . . 1.12 110.853 -172.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -44.95 134.99 5.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.276 0.631 . . . . 2.89 112.464 -179.838 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.22 22.9 13.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.546 -0.752 . . . . 2.49 110.278 176.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 864' ' ' LEU . 0.4 OUTLIER -157.93 156.23 27.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 1.4 109.937 -175.633 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.753 ' HB2' ' HE2' ' A' ' 939' ' ' TYR . 3.1 Cg_exo -75.92 138.33 20.75 Favored 'Trans proline' 0 C--O 1.244 0.778 0 C-N-CA 122.962 2.441 . . . . 0.73 112.813 -177.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 41.6 t -116.12 125.77 73.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.794 -0.639 . . . . 0.64 111.52 -178.501 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.8 OUTLIER -103.55 108.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.72 . . . . 0.64 109.646 175.1 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.96 109.75 3.47 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.409 -0.9 . . . . 0.48 112.18 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.612 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.7 OUTLIER -90.33 94.81 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.774 -0.824 . . . . 1.04 108.774 176.048 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.8 OUTLIER -102.21 138.59 38.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.166 -0.47 . . . . 0.89 111.736 -172.214 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -89.68 104.26 16.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 1.19 110.539 176.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 24.3 t30 55.13 49.39 17.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.375 -0.829 . . . . 2.7 112.276 176.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -92.29 83.68 5.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 2.81 109.777 176.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 132.25 27.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.837 -0.62 . . . . 3.93 111.096 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 61.83 56.52 2.37 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.815 -0.63 . . . . 2.09 110.613 -177.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -38.07 76.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.719 -0.673 . . . . 3.31 110.657 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 2.4 pm0 -62.15 -30.95 71.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 3.58 110.575 179.11 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -77.65 -30.8 52.32 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.474 -0.33 . . . . 2.29 110.761 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.723 ' HG3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -66.82 -40.57 88.09 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.312 -1.366 . . . . 2.65 107.312 172.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.673 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 5.4 ttp180 -58.25 -30.24 66.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.552 -0.749 . . . . 4.05 111.501 178.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 59.0 m -68.34 -39.75 81.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 1.65 110.233 173.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 915' ' ' LEU . 0.2 OUTLIER -72.97 -54.5 8.46 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.444 0.535 . . . . 1.88 112.444 -177.849 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.77 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.89 -46.06 17.49 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.339 -0.144 . . . . 3.47 111.387 -175.941 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 36.4 m 51.56 52.18 15.21 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.465 0.913 . . . . 1.35 113.465 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -142.96 24.38 2.26 Favored Glycine 0 C--O 1.227 -0.323 0 C-N-CA 120.198 -1.001 . . . . 1.02 112.581 176.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.755 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 ttm -107.06 -118.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.528 0.204 . . . . 2.01 111.443 -174.125 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 919' ' ' MET . 26.2 t0 166.65 -56.87 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.044 0.938 . . . . 1.26 108.853 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 900' ' ' ILE . 1.3 m -138.04 157.1 47.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.47 -0.786 . . . . 1.26 110.059 177.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.557 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 39.2 m -127.86 144.32 51.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 1.13 110.981 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.594 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -137.01 -175.51 4.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.732 -0.84 . . . . 0.69 108.732 176.537 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 903' ' ' THR . 75.2 m -120.75 160.24 23.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.358 -0.238 . . . . 0.89 110.358 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 1.3 tttp -44.94 -47.29 30.1 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.225 0.824 . . . . 1.11 113.225 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 23.4 Cg_exo -66.92 72.44 0.47 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.314 2.009 . . . . 1.01 112.744 175.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.75 155.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 1.36 110.062 174.278 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.16 171.13 14.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.204 . . . . 0.92 110.877 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -57.93 -46.89 84.33 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.56 0.344 . . . . 0.92 111.803 -175.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.61 -41.22 79.87 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.886 -0.326 . . . . 1.85 110.802 -177.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.08 -45.02 99.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.93 110.483 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 847' ' ' LEU . 2.2 tt -67.17 -32.1 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.887 -0.597 . . . . 1.18 110.527 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . 0.535 ' HB3' ' HE2' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -65.95 -41.19 91.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 1.9 109.962 177.488 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -60.97 -45.1 96.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 2.25 110.615 179.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -44.95 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.62 110.978 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.718 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.56 -52.28 66.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.86 111.138 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 58.0 m -61.61 -43.55 98.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.988 -0.551 . . . . 0.87 111.359 -178.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -45.14 88.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 1.42 110.958 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.753 ' HE2' ' HB2' ' A' ' 898' ' ' PRO . 6.1 m-85 -69.76 -53.14 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 1.59 111.322 -176.648 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -56.65 -41.92 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.61 111.016 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.01 -48.43 76.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.342 -0.39 . . . . 1.87 110.853 178.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 942' ' ' ARG . 5.5 ptm180 -65.46 -36.48 84.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 3.11 111.587 -173.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 26.4 m -77.03 -31.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.514 -0.474 . . . . 0.75 110.429 179.028 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -49.77 60.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.213 -0.449 . . . . 3.58 110.764 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.09 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 2.78 111.443 -175.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -76.02 -51.62 11.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.874 -0.33 . . . . 1.34 110.99 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 3.53 111.188 -176.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.551 -0.537 . . . . 1.9 109.551 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 826' ' ' MET . . . . . 0.562 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -101.93 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 1.93 110.562 -178.333 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 827' ' ' ILE . . . . . 0.968 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.6 mm -110.01 141.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.015 -0.993 . . . . 0.47 109.747 -179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.418 HD21 HG11 ' A' ' 863' ' ' VAL . 1.1 mt -94.74 111.74 23.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.328 -0.397 . . . . 1.37 110.806 -179.119 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -97.98 104.21 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.981 -0.748 . . . . 1.06 108.981 175.154 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 830' ' ' VAL . . . . . 0.7 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.7 OUTLIER -119.84 89.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.548 -0.751 . . . . 1.07 111.347 -172.127 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 836' ' ' ASN . 9.3 t0 -111.88 134.4 53.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.362 -0.535 . . . . 1.3 110.23 -178.425 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 832' ' ' ASP . . . . . 0.628 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -68.85 -29.81 68.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.536 -0.756 . . . . 2.03 111.34 -178.901 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.62 122.77 40.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 2.12 110.833 -176.371 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -47.72 -40.88 31.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.819 3.013 . . . . 1.12 114.083 -175.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -47.06 95.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.646 0.26 . . . . 2.26 111.662 -175.185 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 836' ' ' ASN . . . . . 0.676 ' HB2' ' OD2' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -82.51 -22.23 35.16 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.537 -0.465 . . . . 1.83 110.191 -178.247 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 837' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 837' ' ' ARG . 32.6 ttm180 -59.12 -52.17 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 2.78 110.433 176.194 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -32.94 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 2.75 110.902 -179.213 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -38.81 75.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 1.14 111.224 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 840' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 829' ' ' VAL . 25.9 tp -70.94 -37.6 72.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.919 -0.582 . . . . 1.43 110.083 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.66 71.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.6 110.111 175.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.79 -45.43 78.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 1.34 109.946 175.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 843' ' ' GLN . . . . . 0.507 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.1 OUTLIER -57.49 -47.12 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 1.85 110.258 176.133 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.968 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.6 tp -62.15 -41.24 98.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.24 110.926 179.391 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.27 -30.55 78.02 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.52 112.089 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 -25.28 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.7 110.379 177.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 847' ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -73.87 -40.66 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 1.56 110.216 175.564 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 107.02 13.67 20.94 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.785 -0.643 . . . . 0.62 112.104 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -105.28 156.02 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.611 0.243 . . . . 1.22 110.51 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 850' ' ' GLN . . . . . 0.562 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -63.96 132.01 49.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.38 110.784 -177.658 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 101.94 9.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 0.94 110.731 -178.572 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 852' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 869' ' ' ILE . 1.2 mptt -89.86 110.97 21.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.171 -0.678 . . . . 1.44 109.171 176.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 853' ' ' THR . . . . . 0.414 ' HA ' HG13 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -89.92 126.83 35.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.038 0.447 . . . . 0.62 111.926 -171.075 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -142.66 177.65 8.17 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.767 -0.651 . . . . 0.47 110.332 178.017 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 855' ' ' ASN . . . . . 0.628 ' OD1' ' HA ' ' A' ' 832' ' ' ASP . 4.6 t30 -153.69 74.16 0.99 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.117 0.484 . . . . 1.9 110.064 -174.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 856' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 9.7 t70 160.14 143.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.57 -1.196 . . . . 1.45 108.848 173.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -65.6 -40.75 96.16 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.372 -0.918 . . . . 0.58 112.072 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 858' ' ' VAL . 0.0 OUTLIER -73.43 -31.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.95 110.334 178.114 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 859' ' ' ASP . . . . . 0.804 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 36.0 t0 -60.64 -40.79 93.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.402 . . . . 0.84 110.425 175.423 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -63.37 -43.05 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.51 110.981 178.771 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -34.86 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.102 -0.499 . . . . 1.85 110.848 -178.023 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -42.2 80.05 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.467 0.651 . . . . 1.72 110.045 176.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 828' ' ' LEU . 1.8 t -61.66 -32.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 0.89 109.581 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 864' ' ' LEU . . . . . 0.983 ' HG ' HD21 ' A' ' 897' ' ' LEU . 1.8 tm? -68.14 -36.09 79.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.644 -0.707 . . . . 1.66 111.232 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -41.94 84.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.766 0.317 . . . . 0.82 110.864 -176.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -31.72 25.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 3.46 111.378 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 867' ' ' ASN . . . . . 0.715 HD22 HD12 ' A' ' 869' ' ' ILE . 9.3 t30 -128.52 121.31 28.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.968 0.414 . . . . 1.86 110.658 -177.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -78.34 78.58 4.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.053 -0.521 . . . . 3.12 111.742 -174.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 869' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 867' ' ' ASN . 0.2 OUTLIER -71.91 147.41 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.882 -0.599 . . . . 1.06 109.761 175.571 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.71 -60.36 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 1.64 111.317 -174.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.723 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.2 mm -115.06 143.55 24.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.883 -0.414 . . . . 1.03 109.883 -179.076 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.17 127.4 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.741 -0.384 . . . . 0.67 111.268 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.65 99.35 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.514 -0.55 . . . . 0.87 109.514 173.085 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.6 p -97.75 103.92 15.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.08 0.467 . . . . 0.73 110.016 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 875' ' ' ASP . . . . . 0.43 ' CG ' ' HB ' ' A' ' 902' ' ' VAL . 30.5 t0 -90.78 114.24 26.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.427 -0.806 . . . . 1.34 110.187 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 876' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 886' ' ' LEU . 7.0 t . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 115.571 -0.74 . . . . 1.29 110.561 -177.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 884' ' ' TYR . . . . . 0.978 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 24.0 p90 . . . . . 0 C--O 1.241 0.634 0 CA-C-O 122.867 1.318 . . . . 2.84 109.908 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 885' ' ' ARG . . . . . 0.619 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.38 -25.02 65.56 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.862 -1.517 . . . . 3.36 111.049 -163.242 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.4 OUTLIER -68.39 -34.95 76.94 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.052 0.93 . . . . 2.34 108.768 -170.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 887' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.1 m -73.8 -26.93 60.87 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.911 -1.495 . . . . 1.28 109.702 178.312 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -59.46 -46.54 88.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.678 -0.692 . . . . 2.17 110.054 175.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.515 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -62.24 -35.21 78.23 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.046 -0.525 . . . . 2.36 110.615 176.485 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 890' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 887' ' ' THR . 89.2 mt -62.43 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.71 110.781 177.284 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -67.79 -38.98 84.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 2.24 110.64 179.11 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 892' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 1.5 tp60 -59.39 -46.11 89.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 2.62 110.719 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.614 -0.721 . . . . 1.91 111.423 -177.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 101.24 81.16 1.56 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.607 -0.806 . . . . 1.12 111.136 -176.083 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 895' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -82.27 160.82 22.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.694 0.759 . . . . 2.89 112.651 -172.345 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 1.2 m -128.7 -4.74 5.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.248 -1.342 . . . . 2.49 107.849 172.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.983 HD21 ' HG ' ' A' ' 864' ' ' LEU . 0.9 OUTLIER -80.07 147.93 66.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 113.726 -1.579 . . . . 1.4 112.894 -167.225 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 898' ' ' PRO . . . . . 0.534 ' HG2' HD13 ' A' ' 871' ' ' ILE . 3.0 Cg_endo -87.97 98.31 0.42 Allowed 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.285 2.656 . . . . 0.73 109.471 162.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 899' ' ' VAL . . . . . 0.796 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.1 t -99.32 115.56 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.371 0.605 . . . . 0.64 111.755 -172.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.77 HD12 HD23 ' A' ' 873' ' ' LEU . 0.1 OUTLIER -101.32 104.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.332 -0.849 . . . . 0.64 109.406 174.184 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 901' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 922' ' ' CYS . . . -96.42 117.56 5.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.735 -0.745 . . . . 0.48 112.393 -177.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 902' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 923' ' ' LEU . 4.1 t -87.29 137.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.431 -0.581 . . . . 1.04 109.431 177.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 15.8 p -120.29 132.74 55.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.89 111.238 -176.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.664 ' HB2' ' HD3' ' A' ' 925' ' ' LYS . . . -108.53 102.48 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.19 110.636 175.338 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 48.29 15.8 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.514 -0.766 . . . . 2.7 111.78 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 906' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 909' ' ' GLU . . . -81.49 -20.84 39.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.566 -0.288 . . . . 2.81 111.181 -178.33 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.55 112.76 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.33 0.652 . . . . 3.93 112.336 177.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 55.54 48.9 17.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.157 -0.929 . . . . 2.09 110.84 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.503 ' CG ' ' HB3' ' A' ' 906' ' ' ALA . 1.4 mp0 -64.9 -17.43 64.31 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.146 -0.934 . . . . 3.31 110.32 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 910' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 913' ' ' ARG . 5.2 mt-10 -62.91 -37.91 88.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.351 -0.386 . . . . 3.58 110.157 174.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -41.31 60.98 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.302 -0.408 . . . . 2.29 110.545 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 912' ' ' GLN . . . . . 0.978 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -63.52 -27.46 69.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.291 0.567 . . . . 2.65 109.581 175.719 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 913' ' ' ARG . . . . . 0.724 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -64.62 -48.99 72.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.374 -0.83 . . . . 4.05 111.275 178.38 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -27.52 66.05 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.455 -0.572 . . . . 1.65 109.455 175.458 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 915' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -68.48 -51.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.136 -0.938 . . . . 1.88 111.552 179.121 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 916' ' ' GLU . . . . . 0.724 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -79.59 -44.85 20.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.184 -1.006 . . . . 3.47 111.199 -176.183 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 13.3 m 49.17 49.44 19.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.73 1.011 . . . . 1.35 113.73 178.222 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.08 24.95 1.59 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.32 -0.943 . . . . 1.02 112.679 174.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 919' ' ' MET . . . . . 0.796 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -103.38 -114.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.126 0.489 . . . . 2.01 111.217 -171.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' A' ' 919' ' ' MET . 7.8 t70 174.01 -51.66 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.462 -0.94 . . . . 1.26 108.462 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.2 m -162.59 152.97 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.471 -0.786 . . . . 1.26 110.432 177.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 922' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 3.3 m -108.97 151.41 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.439 -0.346 . . . . 1.13 110.767 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 923' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 902' ' ' VAL . 67.9 mt -125.62 167.58 14.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.69 111.101 -178.758 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.92 146.44 24.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.89 110.073 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.664 ' HD3' ' HB2' ' A' ' 904' ' ' ALA . 1.5 tptt -47.87 -44.6 59.03 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.926 1.084 . . . . 1.11 113.926 -177.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.28 59.04 1.86 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.108 1.872 . . . . 1.01 112.956 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.92 112.33 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 1.36 110.304 175.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.75 160.72 15.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.92 110.52 178.619 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.507 HD23 ' HG2' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -53.14 -45.47 68.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.921 0.391 . . . . 0.92 111.112 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.41 -40.05 70.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.945 -0.302 . . . . 1.85 111.222 -177.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -35.12 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.944 -0.302 . . . . 0.93 110.817 -177.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 929' ' ' LEU . 0.9 OUTLIER -71.25 -30.58 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 120.99 -0.284 . . . . 1.18 110.288 175.088 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -41.73 84.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.332 . . . . 1.9 110.501 178.077 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.76 -49.07 79.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 2.25 110.361 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -66.87 -37.67 84.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.321 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.9 -54.56 43.52 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.48 -0.327 . . . . 0.86 110.279 178.297 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 10.1 m -57.22 -42.86 82.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.729 -0.669 . . . . 0.87 110.822 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 938' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -55.93 -52.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.414 0.626 . . . . 1.42 111.008 179.377 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 939' ' ' TYR . . . . . 0.606 ' HB3' HD12 ' A' ' 871' ' ' ILE . 4.4 m-85 -74.19 -32.02 62.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.126 -0.488 . . . . 1.59 111.094 -175.566 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 940' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.69 -41.89 98.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 0.61 110.267 177.18 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 938' ' ' LEU . 2.8 pt-20 -64.18 -36.15 83.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.51 178.082 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 56.1 mtt180 -66.95 -48.34 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.371 . . . . 3.11 110.855 -178.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 943' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 18.6 m -72.03 -31.17 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.456 -0.338 . . . . 0.75 111.068 -178.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 944' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -70.58 -46.28 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.229 -0.188 . . . . 3.58 110.842 179.333 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -24.34 62.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 2.78 111.251 -177.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 15.3 m -86.21 -21.78 27.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.671 0.272 . . . . 1.34 111.374 177.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 947' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 3.53 111.332 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 2.0 mttp . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.863 0.363 . . . . 7.01 110.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -170.51 -177.5 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.107 -0.497 . . . . 5.35 110.483 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 150.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.274 -0.639 . . . . 5.29 109.274 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 4.8 m -127.49 50.59 2.0 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.116 0.484 . . . . 4.72 110.546 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -74.48 144.64 44.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.782 -0.644 . . . . 4.74 110.512 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 823' ' ' ASP . 2.9 t30 -144.56 0.13 0.98 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.119 -0.491 . . . . 4.86 110.801 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 824' ' ' ASP . 0.0 OUTLIER 79.1 -40.18 0.24 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.997 0.81 . . . . 5.08 111.344 -178.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.508 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 9.4 t70 77.95 -56.5 0.49 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.525 0.73 . . . . 3.99 111.787 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.5 92.32 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.24 0.543 . . . . 1.9 111.425 -174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.696 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 11.9 ttm -88.1 108.33 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.777 -0.647 . . . . 1.93 109.948 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.902 ' HB ' HD21 ' A' ' 844' ' ' LEU . 4.5 mm -107.12 143.65 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.157 0.503 . . . . 0.47 111.2 -175.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.687 HD23 HG13 ' A' ' 872' ' ' VAL . 60.9 tp -101.6 116.87 33.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 1.37 110.575 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 840' ' ' LEU . 0.1 OUTLIER -107.8 108.5 25.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.735 0.779 . . . . 1.06 109.929 179.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.3 t -116.57 137.1 51.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.336 -0.847 . . . . 1.07 109.594 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.415 ' CG ' ' HB3' ' A' ' 836' ' ' ASN . 3.6 t70 -148.24 147.48 29.42 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.657 -0.417 . . . . 1.3 110.902 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -94.73 -3.55 49.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.786 -0.643 . . . . 2.03 110.473 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 5.5 m170 -117.4 125.49 28.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.814 -0.63 . . . . 2.12 110.261 176.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 31.3 Cg_exo -59.6 -39.21 76.75 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.518 2.145 . . . . 1.12 112.87 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.72 -39.74 76.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.015 0.436 . . . . 2.26 110.055 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 831' ' ' ASP . 2.2 t30 -71.02 -41.01 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 1.83 109.948 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 837' ' ' ARG . 3.9 ttm-85 -56.6 -47.63 79.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 2.78 110.878 177.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.507 ' C ' ' HD3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -54.89 -50.87 67.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.772 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -33.97 65.33 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.429 -0.805 . . . . 1.14 111.299 -172.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.581 HD23 HG23 ' A' ' 829' ' ' VAL . 59.4 tp -67.15 -43.03 83.34 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 1.43 110.211 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.26 -35.19 73.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.6 110.807 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.14 -47.34 86.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 1.34 110.115 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.818 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.47 -43.49 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.332 -0.849 . . . . 1.85 110.477 179.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.902 HD21 ' HB ' ' A' ' 827' ' ' ILE . 10.7 tp -63.54 -37.73 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.749 -0.66 . . . . 1.24 111.133 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.07 -40.55 99.37 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.987 -0.625 . . . . 0.52 112.419 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 25.0 m -76.69 -19.52 57.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.82 0.343 . . . . 0.7 110.979 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.1 OUTLIER -69.2 -34.77 75.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.461 0.648 . . . . 1.56 109.438 171.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 100.9 22.55 10.75 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.266 -0.879 . . . . 0.62 112.101 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -110.36 151.48 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.544 0.211 . . . . 1.22 110.528 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -61.33 124.79 21.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 2.38 110.342 176.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 106.3 16.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.267 -0.424 . . . . 0.94 110.932 -177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.13 110.27 22.85 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.365 -0.606 . . . . 1.44 109.365 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.03 136.21 33.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.004 0.43 . . . . 0.62 111.742 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.593 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -141.83 168.58 19.42 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.971 -0.558 . . . . 0.47 110.72 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.2 t30 -144.3 72.45 1.34 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.704 -0.226 . . . . 1.9 110.883 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.677 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.8 t0 161.03 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 O-C-N 124.228 0.955 . . . . 1.45 109.828 171.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.43 78.46 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.219 -0.991 . . . . 0.58 110.882 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.518 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -68.78 -30.64 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.333 . . . . 0.95 110.753 178.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 17.8 t0 -63.52 -32.27 73.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.84 110.868 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -57.92 -53.68 55.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.51 111.19 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.621 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -73.79 -27.68 61.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 1.85 110.944 -178.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.06 -48.35 79.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.435 0.636 . . . . 1.72 109.47 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 828' ' ' LEU . 2.2 t -64.03 -35.15 72.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.203 -0.908 . . . . 0.89 110.249 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.88 -31.73 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.822 -0.626 . . . . 1.66 111.182 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 14.6 m -78.2 -27.06 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.25 -0.432 . . . . 0.82 110.72 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . 0.456 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 4.7 mmmt -84.21 -37.01 22.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 3.46 111.176 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -143.52 157.1 44.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.299 -0.41 . . . . 1.86 110.194 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 137.73 34.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.988 0.423 . . . . 3.12 111.266 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.563 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -134.21 153.99 36.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.33 -0.396 . . . . 1.06 110.417 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . 0.709 ' HA ' HH21 ' A' ' 947' ' ' ARG . 8.2 t0 -95.18 -57.19 2.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 1.64 110.957 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.757 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.8 mm -113.45 130.37 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.084 -0.507 . . . . 1.03 110.65 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.687 HG13 HD23 ' A' ' 828' ' ' LEU . 38.9 t -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.12 -0.232 . . . . 0.67 110.724 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -123.32 99.87 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.963 -0.384 . . . . 0.87 109.963 173.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.713 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 11.3 p -111.29 110.44 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.014 -0.275 . . . . 0.73 110.383 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 18.4 t0 -95.91 117.78 31.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.181 0.515 . . . . 1.34 111.058 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.48 121.36 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 1.29 110.28 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.501 ' O ' ' HD3' ' A' ' 879' ' ' PRO . 0.0 OUTLIER -110.15 -5.92 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 2.55 110.394 -179.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.646 ' HG3' ' HB3' ' A' ' 880' ' ' ASN . 57.2 tpp -100.25 100.63 12.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.656 -0.702 . . . . 3.66 111.377 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.801 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 84.9 Cg_endo -83.78 50.37 3.14 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.949 2.432 . . . . 3.48 111.595 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . 0.646 ' HB3' ' HG3' ' A' ' 878' ' ' MET . 0.1 OUTLIER -115.6 -13.96 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.572 -0.74 . . . . 4.87 111.027 -174.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 18.5 tpp -155.14 -58.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.366 . . . . 5.58 111.632 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 886' ' ' LEU . 1.6 t0 -116.39 -149.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.439 0.533 . . . . 4.99 112.439 -174.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 74.66 34.76 52.98 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.003 -1.639 . . . . 3.04 109.003 -167.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.883 ' HB2' ' HG3' ' A' ' 912' ' ' GLN . 9.2 t80 -173.63 -79.12 0.01 OUTLIER 'General case' 0 C--O 1.249 1.028 0 CA-C-O 122.251 1.024 . . . . 2.84 109.223 -164.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.536 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.8 tmm_? -63.44 -29.32 70.62 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.946 -1.025 . . . . 3.36 111.428 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -22.3 66.89 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.304 1.05 . . . . 2.34 109.547 -173.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.835 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -85.23 -28.32 25.47 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 113.724 -1.58 . . . . 1.28 107.707 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.572 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -62.96 -47.97 80.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.348 -0.842 . . . . 2.17 110.002 169.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.41 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -63.2 -33.92 76.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.291 -0.413 . . . . 2.36 111.38 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.838 HG21 HG21 ' A' ' 899' ' ' VAL . 2.0 mt -67.37 -42.88 87.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.499 -0.319 . . . . 1.71 110.582 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.593 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.86 -23.51 62.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.124 0.487 . . . . 2.24 110.526 177.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -72.97 -38.25 66.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.047 -0.524 . . . . 2.62 110.155 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -31.92 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.576 . . . . 1.91 110.174 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 103.99 84.68 1.8 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.925 -0.655 . . . . 1.12 111.623 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -75.2 121.99 22.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.401 0.619 . . . . 2.89 111.108 -177.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.56 24.16 11.51 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.5 -0.773 . . . . 2.49 109.136 173.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.32 155.4 31.72 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 114.592 -1.185 . . . . 1.4 109.258 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 126.05 11.28 Favored 'Trans proline' 0 C--O 1.242 0.724 0 C-N-CA 122.441 2.094 . . . . 0.73 113.424 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.838 HG21 HG21 ' A' ' 890' ' ' ILE . 21.9 t -101.54 105.64 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 121.371 0.605 . . . . 0.64 110.099 175.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 873' ' ' LEU . 5.5 mt -92.84 108.28 20.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.328 0.585 . . . . 0.64 109.952 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.35 99.68 2.58 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.477 -0.783 . . . . 0.48 112.055 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.2 OUTLIER -76.77 127.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 108.383 -0.969 . . . . 1.04 108.383 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.82 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 2.4 p -140.39 155.36 46.78 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.632 -0.427 . . . . 0.89 111.801 -169.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.4 104.53 4.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.276 -0.42 . . . . 1.19 111.229 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 55.47 55.8 6.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.708 -0.678 . . . . 2.7 112.326 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.87 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -98.55 42.32 1.1 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.967 0.413 . . . . 2.81 110.152 175.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.89 -71.04 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.171 -0.922 . . . . 3.93 110.815 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -143.66 78.22 1.58 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.211 -0.663 . . . . 2.09 109.211 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.87 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 13.5 mp0 -58.15 -45.84 86.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.669 -0.696 . . . . 3.31 111.619 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.24 -39.61 75.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 3.58 110.562 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -65.4 -35.02 79.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.818 -0.628 . . . . 2.29 110.706 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 884' ' ' TYR . 0.7 OUTLIER -68.57 -39.11 81.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.276 0.56 . . . . 2.65 109.75 179.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.504 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 5.2 ttt180 -62.26 -39.74 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.409 -0.814 . . . . 4.05 110.46 177.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.33 -38.64 74.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 1.65 111.2 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.19 -52.24 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.098 0.475 . . . . 1.88 111.326 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.835 ' HB2' HG22 ' A' ' 887' ' ' THR . 4.3 mm-40 -78.2 -22.17 48.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.663 -0.699 . . . . 3.47 110.872 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . 0.462 ' HB2' HH11 ' A' ' 891' ' ' ARG . 1.5 m 52.43 51.87 15.31 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.961 1.097 . . . . 1.35 113.961 171.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.69 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.02 27.07 1.43 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.409 -0.901 . . . . 1.02 113.487 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.745 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.3 ttm -106.98 -119.95 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.336 0.568 . . . . 2.01 111.21 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 919' ' ' MET . 17.3 t70 171.03 -52.14 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 123.861 0.865 . . . . 1.26 108.857 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.17 170.14 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.515 -0.766 . . . . 1.26 110.369 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.504 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 70.1 m -131.58 135.53 47.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.642 -0.254 . . . . 1.13 110.501 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.746 ' HB2' HG13 ' A' ' 902' ' ' VAL . 62.2 mt -124.94 -175.27 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.574 -0.284 . . . . 0.69 110.587 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.95 153.53 27.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.107 -0.497 . . . . 0.89 110.042 178.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.2 tptp -49.89 -48.17 78.56 Favored Pre-proline 0 CA--C 1.543 0.701 0 N-CA-C 113.788 1.033 . . . . 1.11 113.788 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 11.9 Cg_exo -72.78 65.91 3.95 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.067 1.845 . . . . 1.01 113.599 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.4 99.43 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 1.36 110.303 173.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.8 11.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.311 -0.404 . . . . 0.92 111.384 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -58.44 -46.31 86.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.737 0.303 . . . . 0.92 111.133 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.23 -46.42 73.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.35 -0.386 . . . . 1.85 110.719 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.14 -44.86 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.973 -0.558 . . . . 0.93 110.338 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.699 HG23 HD23 ' A' ' 936' ' ' LEU . 0.5 OUTLIER -61.68 -38.95 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 1.18 110.551 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.45 76.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.204 -0.453 . . . . 1.9 112.015 -176.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -69.2 -38.22 78.52 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 2.25 110.854 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.1 m -65.8 -44.53 85.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.238 . . . . 0.62 111.01 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.699 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.62 -41.28 92.88 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.436 -0.347 . . . . 0.86 110.792 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 80.7 m -65.94 -47.29 75.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.317 -0.402 . . . . 0.87 111.015 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.157 0.503 . . . . 1.42 110.884 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.443 ' O ' HG22 ' A' ' 943' ' ' VAL . 4.0 m-85 -76.68 -25.55 53.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.143 -0.481 . . . . 1.59 111.724 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.04 93.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.278 0.561 . . . . 0.61 110.322 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.07 -34.87 71.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.643 . . . . 1.87 109.926 176.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -67.15 -48.45 68.0 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.152 -0.476 . . . . 3.11 110.638 -178.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 939' ' ' TYR . 17.1 m -66.98 -29.33 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.75 110.423 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.37 -34.59 76.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.487 -0.324 . . . . 3.58 110.193 174.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -34.94 33.19 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.92 0.39 . . . . 2.78 110.953 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 3.8 m -75.6 -25.9 57.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.38 0.511 . . . . 1.34 112.38 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.709 HH21 ' HA ' ' A' ' 870' ' ' ASP . 74.1 mtt-85 -95.57 -33.97 12.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 3.53 111.305 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -91.23 114.6 27.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.509 -0.314 . . . . 2.64 110.383 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.538 -0.756 . . . . 5.09 111.022 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.457 ' HB3' ' H ' ' A' ' 818' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 110.022 -0.362 . . . . 7.01 110.022 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 817' ' ' LYS . . . -90.76 131.32 36.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.899 0.38 . . . . 5.35 110.835 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.38 118.23 56.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.12 -0.491 . . . . 5.29 110.273 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.68 26.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 4.72 111.221 -176.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -73.65 130.78 40.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.127 -0.488 . . . . 4.74 109.993 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -71.89 -74.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 4.86 111.743 -174.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.491 ' OD1' ' HG3' ' A' ' 850' ' ' GLN . 1.5 t70 -159.78 -26.3 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.811 -0.177 . . . . 5.08 111.223 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 24.6 t70 76.02 -65.86 0.29 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.08 0.952 . . . . 3.99 110.62 -178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.3 118.95 6.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.363 -0.835 . . . . 1.9 109.911 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.416 ' O ' HG23 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -98.62 113.31 25.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.035 0.445 . . . . 1.93 110.147 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.795 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -110.7 137.82 41.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.469 -0.787 . . . . 0.47 109.751 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.5 OUTLIER -94.79 118.45 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.388 -0.369 . . . . 1.37 110.773 -177.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.0 m -101.72 94.85 3.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.169 -0.678 . . . . 1.06 109.169 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.835 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -110.24 84.29 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 1.07 110.511 -174.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -106.27 154.97 19.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.508 -0.314 . . . . 1.3 111.105 -171.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . 0.469 ' HA ' ' ND2' ' A' ' 855' ' ' ASN . 2.1 p-10 -93.28 -18.24 22.69 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 112.853 0.686 . . . . 2.03 112.853 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.618 ' CD2' ' HB3' ' A' ' 877' ' ' ASN . 32.4 m-70 -127.18 107.96 21.61 Favored Pre-proline 0 C--N 1.328 -0.343 0 O-C-N 122.275 -0.266 . . . . 2.12 110.532 -177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.8 Cg_endo -40.31 -39.07 2.52 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 124.879 3.719 . . . . 1.12 115.375 -167.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -33.97 62.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 120.939 0.4 . . . . 2.26 111.432 -177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -83.55 -22.56 32.35 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.874 -0.33 . . . . 1.83 110.56 -178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.411 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 4.1 ttm180 -61.42 -50.53 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 2.78 110.017 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -32.02 71.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 2.75 111.352 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -39.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.14 111.232 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.401 HD12 HD11 ' A' ' 932' ' ' ILE . 54.1 tp -66.59 -41.13 88.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 1.43 109.813 177.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.76 62.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.608 . . . . 0.6 110.921 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -68.47 -48.76 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.038 0.447 . . . . 1.34 110.271 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.812 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.5 OUTLIER -64.32 -35.15 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 1.85 110.096 177.325 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.795 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.2 tp -63.25 -43.42 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 1.24 110.487 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.61 -27.82 73.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 111.855 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.1 m -68.44 -28.38 67.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.7 110.075 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -81.75 -15.56 53.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.713 -0.676 . . . . 1.56 110.469 175.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.89 70.14 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.851 -0.613 . . . . 0.62 111.819 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . 0.496 ' HD2' HD11 ' A' ' 827' ' ' ILE . 3.7 m-85 -99.58 143.43 29.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 1.22 110.664 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.491 ' HG3' ' OD1' ' A' ' 823' ' ' ASP . 4.2 mm-40 -72.07 132.82 44.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 2.38 111.284 -174.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.618 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -115.76 107.96 15.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 0.94 111.192 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -93.39 119.21 32.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.105 -0.702 . . . . 1.44 109.105 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.595 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.2 OUTLIER -91.12 136.22 33.23 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.771 0.656 . . . . 0.62 112.771 -168.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.835 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.3 175.48 13.69 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.832 -0.622 . . . . 0.47 109.806 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.676 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.1 t-20 -147.23 74.65 1.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.665 -0.414 . . . . 1.9 111.691 -172.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.676 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.1 t70 160.58 164.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.344 1.058 . . . . 1.45 109.798 166.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.674 ' HA3' ' HB3' ' A' ' 886' ' ' LEU . . . -74.02 -42.72 36.1 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.411 -0.899 . . . . 0.58 110.916 174.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.451 HG22 ' OD1' ' A' ' 856' ' ' ASP . 29.7 m -72.64 -29.13 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.082 0.468 . . . . 0.95 110.341 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.525 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 32.1 t0 -62.68 -40.74 98.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.913 -0.585 . . . . 0.84 109.678 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.697 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -65.26 -33.94 77.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.576 -0.738 . . . . 0.51 110.354 178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 890' ' ' ILE . 0.6 OUTLIER -62.76 -43.28 99.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 1.85 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -69.26 -49.8 52.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.72 111.066 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 860' ' ' ALA . 8.2 p -64.22 -32.47 57.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.525 -0.307 . . . . 0.89 110.759 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 2.4 mt -66.0 -32.35 73.79 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.296 0.57 . . . . 1.66 110.426 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 48.7 m -76.3 -21.81 55.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.826 -0.625 . . . . 0.82 110.602 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -36.61 20.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.19 -0.459 . . . . 3.46 110.682 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 137.44 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.727 -0.842 . . . . 1.86 108.727 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.41 84.2 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.023 0.44 . . . . 3.12 111.883 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -61.01 139.54 20.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.753 . . . . 1.06 109.409 170.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 0.2 OUTLIER -87.63 -30.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.647 0.61 . . . . 1.64 112.647 -170.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 9.0 mt -134.19 129.98 54.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.107 -0.331 . . . . 1.03 110.107 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 37.0 t -112.88 131.75 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.923 -0.311 . . . . 0.67 111.541 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.665 HD23 ' HB ' ' A' ' 900' ' ' ILE . 4.1 mt -117.92 99.64 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.286 -0.415 . . . . 0.87 110.112 174.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 p -90.04 103.08 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.931 0.396 . . . . 0.73 110.264 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.694 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 60.9 t0 -93.72 118.08 30.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.753 -0.658 . . . . 1.34 110.435 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.553 HG21 ' HA3' ' A' ' 883' ' ' GLY . 0.0 OUTLIER -133.51 117.7 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 1.29 111.338 -175.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.742 ' HB2' ' HD3' ' A' ' 925' ' ' LYS . 4.5 t-20 -115.25 48.22 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 2.55 109.871 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 43.9 ttm -135.72 84.23 33.53 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.653 -0.703 . . . . 3.66 110.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -63.05 -10.72 21.67 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.975 2.45 . . . . 3.48 112.113 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -72.39 -23.3 61.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 4.87 110.498 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.36 88.51 2.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.681 -0.69 . . . . 5.58 109.208 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.451 ' HB3' ' HD1' ' A' ' 884' ' ' TYR . 4.6 t0 -45.57 130.29 8.82 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.977 -1.011 . . . . 4.99 112.614 -172.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.553 ' HA3' HG21 ' A' ' 876' ' ' VAL . . . -79.08 -5.35 89.03 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.325 -0.852 . . . . 3.04 112.819 -175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.729 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 2.7 p90 -59.59 -41.63 90.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.867 0.841 . . . . 2.84 110.602 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.663 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.63 -27.13 62.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.459 -0.792 . . . . 3.36 111.475 -168.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.674 ' HB3' ' HA3' ' A' ' 857' ' ' GLY . 0.1 OUTLIER -73.25 -27.57 61.66 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.16 -1.052 . . . . 2.34 108.16 -170.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 11.4 m -78.0 -28.26 49.21 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 113.68 -1.6 . . . . 1.28 109.906 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 37.6 tt0 -61.68 -41.4 97.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.679 -0.691 . . . . 2.17 109.753 176.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -37.52 80.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 2.36 110.648 177.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.424 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.4 OUTLIER -64.3 -35.24 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.795 0.331 . . . . 1.71 110.747 178.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -69.16 -39.09 79.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 2.24 110.057 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.14 -37.6 87.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.38 0.609 . . . . 2.62 109.99 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.22 -23.84 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.384 -0.825 . . . . 1.91 111.254 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.47 73.96 1.26 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.905 -0.664 . . . . 1.12 111.885 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -69.14 133.83 48.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.46 . . . . 2.89 111.209 179.648 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.8 27.42 8.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.953 -0.567 . . . . 2.49 110.092 175.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 870' ' ' ASP . 0.7 OUTLIER -153.86 153.25 28.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.332 -0.849 . . . . 1.4 109.648 -177.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 16.5 Cg_exo -67.94 133.88 30.44 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 122.799 2.332 . . . . 0.73 112.836 -178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 42.7 t -110.07 125.15 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.64 110.491 177.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 873' ' ' LEU . 3.8 mt -112.38 114.48 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.013 -0.54 . . . . 0.64 110.015 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.35 124.24 7.39 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.648 -0.787 . . . . 0.48 112.105 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.0 t -97.03 96.41 5.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.195 -0.669 . . . . 1.04 109.195 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' A' ' 924' ' ' SER . 2.5 p -116.97 171.78 7.69 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.087 0.47 . . . . 0.89 111.611 -172.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -144.33 102.53 3.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 1.19 110.434 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 48.01 65.17 1.37 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.029 0.831 . . . . 2.7 112.115 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -83.66 49.24 1.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.123 -0.489 . . . . 2.81 110.577 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.1 -74.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.447 -0.797 . . . . 3.93 111.012 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.42 75.7 1.47 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.407 -0.59 . . . . 2.09 109.407 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.46 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.42 -25.86 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 3.31 111.59 -174.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -61.68 -44.65 96.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.239 0.542 . . . . 3.58 110.153 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -40.11 75.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.633 -0.712 . . . . 2.29 110.525 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.729 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.6 OUTLIER -74.0 -28.72 61.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.791 -0.364 . . . . 2.65 110.744 -177.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.75 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.84 -36.43 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.28 0.562 . . . . 4.05 110.078 174.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 13.5 m -73.69 -26.43 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.938 -0.573 . . . . 1.65 110.327 173.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.7 OUTLIER -71.64 -51.74 21.56 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.796 -0.638 . . . . 1.88 112.02 -177.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.75 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -77.57 -42.51 34.98 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.216 -0.594 . . . . 3.47 110.648 179.138 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.67 49.99 19.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.79 0.663 . . . . 1.35 112.79 177.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.26 10.98 1.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.002 -1.094 . . . . 1.02 112.529 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.878 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.4 ttm -87.65 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.645 0.259 . . . . 2.01 111.092 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' A' ' 919' ' ' MET . 25.8 t0 165.74 -52.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.154 0.982 . . . . 1.26 109.109 173.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 157.62 46.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 1.26 110.853 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.32 142.0 48.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.352 -0.385 . . . . 1.13 110.445 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 935' ' ' THR . 0.0 OUTLIER -135.3 -175.36 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.037 -0.529 . . . . 0.69 109.938 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.7 m -105.79 149.63 26.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.432 -0.349 . . . . 0.89 110.112 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.742 ' HD3' ' HB2' ' A' ' 877' ' ' ASN . 2.1 tptt -44.04 -53.02 14.21 Favored Pre-proline 0 CA--C 1.541 0.628 0 N-CA-C 113.318 0.859 . . . . 1.11 113.318 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 72.1 Cg_endo -77.53 65.35 8.07 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.563 1.509 . . . . 1.01 112.499 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.32 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 1.36 110.439 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 170.28 14.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.039 -0.528 . . . . 0.92 110.774 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.812 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.8 OUTLIER -58.61 -46.29 87.35 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.791 0.293 . . . . 0.92 111.791 -175.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -69.45 -44.23 71.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.815 0.341 . . . . 1.85 110.665 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.16 -47.26 90.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.93 110.75 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 3.1 tt -64.37 -32.8 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 1.18 110.996 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.77 -35.31 78.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.739 0.304 . . . . 1.9 110.608 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.52 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.1 OUTLIER -63.68 -54.78 30.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 2.25 110.439 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . 0.419 HG21 HD21 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -64.77 -41.31 95.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.62 111.056 -179.502 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.767 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.09 -57.51 12.53 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.86 111.062 -179.387 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 21.5 m -62.75 -41.94 99.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.24 -0.436 . . . . 0.87 111.398 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -63.23 -42.07 99.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 1.42 111.436 -178.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 943' ' ' VAL . 3.1 m-30 -84.85 -25.9 27.75 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.933 -0.307 . . . . 1.59 111.54 -175.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -65.23 -40.33 93.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 0.61 109.903 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.11 71.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.924 -0.58 . . . . 1.87 109.694 174.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -48.51 80.54 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 3.11 111.047 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 17.6 m -75.49 -34.7 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.632 -0.258 . . . . 0.75 110.972 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -65.15 -45.12 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 3.58 111.304 -178.181 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -29.76 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 2.78 111.853 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 35.9 m -75.4 -38.71 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.547 -0.461 . . . . 1.34 110.417 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 5.3 ttt85 -73.41 -19.62 60.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 3.53 109.865 174.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 3.8 t0 61.06 63.82 1.2 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.043 -0.981 . . . . 2.64 110.858 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.846 -1.073 . . . . 5.09 109.664 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.925 -0.398 . . . . 7.01 109.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -108.73 143.58 37.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.181 -0.463 . . . . 5.35 110.992 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.0 122.28 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.951 -0.568 . . . . 5.29 110.039 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.49 131.66 56.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.406 -0.361 . . . . 4.72 110.832 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -107.36 -132.35 0.32 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.135 -0.484 . . . . 4.74 109.827 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -53.4 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.734 -0.839 . . . . 4.86 108.734 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 25.2 t70 177.73 -79.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.19 -1.368 . . . . 5.08 108.319 176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 9.4 t0 173.49 -62.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.959 -1.019 . . . . 3.99 109.06 175.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . 0.432 ' HE1' ' HA ' ' A' ' 940' ' ' ALA . 1.3 mtp -149.0 141.95 24.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.532 -0.758 . . . . 1.9 110.285 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.31 113.09 25.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 1.93 110.593 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 38.5 mm -104.89 132.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.665 -0.698 . . . . 0.47 110.223 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.869 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.9 tp -96.61 104.52 16.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.931 0.396 . . . . 1.37 110.374 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 15.5 m -93.4 100.23 10.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.63 0.729 . . . . 1.06 110.399 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.5 t -112.38 125.93 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.815 -0.629 . . . . 1.07 110.153 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.576 ' HB3' ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -148.03 142.84 26.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 117.967 0.349 . . . . 1.3 111.216 175.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -78.04 -14.06 59.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.815 0.672 . . . . 2.03 112.815 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -119.35 83.49 26.18 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.992 -0.373 . . . . 2.12 109.992 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -35.03 -39.76 0.22 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 125.167 3.911 . . . . 1.12 116.396 -166.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.7 OUTLIER -57.81 -31.41 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 121.086 0.47 . . . . 2.26 111.397 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -73.77 -41.62 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.959 -0.564 . . . . 1.83 110.267 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 1.014 ' HA ' ' HE ' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -64.45 -33.68 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.922 -0.311 . . . . 2.78 111.138 176.202 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.594 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.29 -50.7 72.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.519 0.676 . . . . 2.75 109.851 173.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.594 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.61 -40.23 76.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.155 -0.929 . . . . 1.14 110.964 -173.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.581 HD22 ' CZ ' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -67.57 -30.32 69.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.974 -0.557 . . . . 1.43 110.731 178.077 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -72.14 -24.76 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.6 110.287 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -47.13 71.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.369 -0.604 . . . . 1.34 109.369 173.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -42.03 95.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.517 -0.765 . . . . 1.85 110.459 175.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -60.53 -37.03 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.396 -0.82 . . . . 1.24 110.472 177.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.44 -31.11 79.64 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.452 -0.794 . . . . 0.52 112.308 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -16.54 56.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.7 110.481 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -41.39 27.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 1.56 110.121 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.96 35.6 5.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.62 112.315 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -123.77 152.98 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 1.22 110.254 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.44 126.55 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.248 -0.433 . . . . 2.38 109.958 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.6 111.76 22.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.83 0.348 . . . . 0.94 111.085 -177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.54 120.21 38.59 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.342 -0.614 . . . . 1.44 109.342 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.513 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -88.61 140.04 29.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.021 0.439 . . . . 0.62 112.066 -170.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -157.16 171.06 21.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.675 -0.693 . . . . 0.47 109.407 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.5 OUTLIER -154.8 73.09 0.87 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.089 -0.645 . . . . 1.9 112.315 -175.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.676 ' OD2' HG22 ' A' ' 858' ' ' VAL . 14.0 t70 162.91 156.76 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.227 0.954 . . . . 1.45 109.657 172.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -62.74 -52.55 47.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.966 -0.635 . . . . 0.58 112.118 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.676 HG22 ' OD2' ' A' ' 856' ' ' ASP . 1.5 m -74.06 -29.67 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 122.759 -0.26 . . . . 0.95 111.018 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.641 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 25.8 t0 -57.53 -33.29 67.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.429 -0.351 . . . . 0.84 110.509 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -62.05 -38.4 88.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.121 -0.49 . . . . 0.51 110.676 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.693 HD21 HG13 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -72.88 -33.38 66.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.205 0.526 . . . . 1.85 110.194 177.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.69 -50.59 68.62 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.505 -0.771 . . . . 1.72 110.534 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.47 HG11 HD11 ' A' ' 828' ' ' LEU . 4.3 p -68.65 -32.44 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.89 110.219 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' A' ' 895' ' ' LEU . 0.3 OUTLIER -58.95 -38.93 80.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.098 0.475 . . . . 1.66 110.659 175.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 17.9 m -65.58 -37.6 87.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.82 110.604 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -73.82 -41.52 62.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 3.46 111.417 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.99 118.73 8.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 1.86 110.235 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.69 144.92 53.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.136 0.494 . . . . 3.12 110.66 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.869 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -132.63 154.97 40.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.311 -0.626 . . . . 1.06 109.311 -179.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.39 -60.69 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.069 0.462 . . . . 1.64 111.103 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 13.7 mt -121.0 132.12 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 1.03 110.674 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 27.7 t -108.2 138.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.67 110.025 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 106.89 9.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.985 -0.376 . . . . 0.87 109.985 175.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.0 p -91.68 99.61 12.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.73 110.597 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.52 ' HB2' ' NH1' ' A' ' 837' ' ' ARG . 0.5 OUTLIER -87.55 106.69 18.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.272 -0.876 . . . . 1.34 109.946 179.244 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.47 HG23 HG22 ' A' ' 903' ' ' THR . 0.0 OUTLIER -127.36 115.23 39.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.087 0.47 . . . . 1.29 112.023 -175.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.702 ' HB2' ' HE3' ' A' ' 925' ' ' LYS . 0.6 OUTLIER -107.17 12.75 28.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 2.55 109.395 172.062 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 19.3 ttp -77.34 110.87 13.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.477 -0.783 . . . . 3.66 110.159 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 877' ' ' ASN . 89.9 Cg_endo -82.18 -0.59 10.33 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.762 2.308 . . . . 3.48 112.21 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -93.04 120.69 33.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.954 -0.566 . . . . 4.87 110.95 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 3.8 tpt 72.2 3.97 4.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.463 -0.789 . . . . 5.58 112.687 173.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.5 t70 66.07 -179.26 0.2 Allowed 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.11 0.481 . . . . 4.99 111.587 173.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.55 ' O ' ' HG ' ' A' ' 886' ' ' LEU . . . -78.42 -36.06 31.39 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 109.29 -1.524 . . . . 3.04 109.29 169.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.804 ' HB2' ' HB3' ' A' ' 882' ' ' ASP . 0.1 OUTLIER 19.8 -111.71 0.01 OUTLIER 'General case' 0 C--O 1.246 0.912 0 C-N-CA 125.238 1.415 . . . . 2.84 114.482 166.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.659 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.1 -25.46 68.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.204 -1.362 . . . . 3.36 112.505 -167.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 883' ' ' GLY . 0.3 OUTLIER -65.74 -29.85 70.42 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.303 -0.999 . . . . 2.34 108.303 -176.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.644 ' HA ' HD12 ' A' ' 890' ' ' ILE . 0.2 OUTLIER -69.93 -41.15 75.0 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.596 -1.183 . . . . 1.28 108.517 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 1.6 tp-100 -57.07 -45.09 83.55 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.866 -1.061 . . . . 2.17 110.725 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.484 ' HG2' HD23 ' A' ' 861' ' ' LEU . 0.2 OUTLIER -57.73 -37.34 73.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 2.36 110.888 -179.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.693 HG13 HD21 ' A' ' 861' ' ' LEU . 6.2 mt -57.57 -47.61 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.232 -0.44 . . . . 1.71 110.538 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -30.04 68.99 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.258 -0.428 . . . . 2.24 111.277 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 59.5 mt-30 -74.88 -37.36 62.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.088 0.47 . . . . 2.62 110.82 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 861' ' ' LEU . 6.6 tp -76.41 -4.37 42.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 1.91 110.711 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.961 -0.638 . . . . 1.12 113.406 172.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.624 HD21 ' HG ' ' A' ' 864' ' ' LEU . 4.0 mp -90.44 110.44 21.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.991 0.424 . . . . 2.89 109.944 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 7.5 t -99.86 -3.8 31.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.499 0.666 . . . . 2.49 109.66 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.75 151.46 84.65 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.233 -0.894 . . . . 1.4 109.661 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.1 119.6 6.95 Favored 'Trans proline' 0 C--O 1.241 0.65 0 C-N-CA 123.037 2.491 . . . . 0.73 113.328 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.7 t -106.04 109.12 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.356 0.598 . . . . 0.64 110.281 175.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 40.8 mt -84.57 113.74 23.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.817 -0.629 . . . . 0.64 110.262 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . 0.429 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -89.05 91.74 1.75 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.69 -0.767 . . . . 0.48 112.217 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.631 HG13 ' HB2' ' A' ' 923' ' ' LEU . 0.0 OUTLIER -83.61 98.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.102 -0.703 . . . . 1.04 109.102 176.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.47 HG22 HG23 ' A' ' 876' ' ' VAL . 52.0 p -121.5 -174.75 2.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.579 0.704 . . . . 0.89 112.392 -168.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -138.66 160.09 40.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.822 -1.081 . . . . 1.19 108.234 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.32 100.23 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 2.7 111.83 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -134.81 86.23 2.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 2.81 109.156 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 907' ' ' LEU . 0.1 OUTLIER 70.55 -86.38 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 3.93 110.086 -176.278 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.445 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -166.77 71.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 2.09 110.254 -178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -31.14 69.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 3.31 111.367 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.21 -40.64 90.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.992 0.425 . . . . 3.58 110.355 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.02 -38.94 86.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 2.29 110.306 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 884' ' ' TYR . 1.8 mp0 -69.86 -32.02 70.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.229 0.537 . . . . 2.65 109.926 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.735 ' HG3' ' HB2' ' A' ' 919' ' ' MET . 14.1 ttp85 -64.12 -31.31 72.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.429 -0.805 . . . . 4.05 110.131 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.56 -43.99 36.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 1.65 110.945 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -52.66 20.92 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 111.873 0.323 . . . . 1.88 111.873 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.68 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 13.1 mm-40 -78.38 -23.11 46.97 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 122.647 0.379 . . . . 3.47 111.561 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.52 54.41 10.67 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.443 1.275 . . . . 1.35 114.443 169.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -132.58 26.75 3.62 Favored Glycine 0 C--O 1.222 -0.611 0 C-N-CA 119.957 -1.116 . . . . 1.02 113.741 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.873 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.8 mtt -117.63 -126.11 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 118.131 0.965 . . . . 2.01 112.057 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.504 ' H ' ' HB3' ' A' ' 919' ' ' MET . 23.9 t0 170.58 -48.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.249 1.02 . . . . 1.26 108.738 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.04 173.81 10.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.725 . . . . 1.26 110.822 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.465 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 97.1 m -145.85 120.68 9.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.732 -0.47 . . . . 1.13 109.732 176.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 935' ' ' THR . 20.4 mt -125.93 -174.86 3.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.588 -0.278 . . . . 0.69 110.275 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.461 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -97.57 143.37 28.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.178 -0.464 . . . . 0.89 110.056 179.197 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.702 ' HE3' ' HB2' ' A' ' 877' ' ' ASN . 0.2 OUTLIER -48.39 -44.53 64.75 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 112.829 0.677 . . . . 1.11 112.829 178.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 57.1 Cg_endo -71.14 64.12 2.64 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.694 1.596 . . . . 1.01 112.663 175.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.13 84.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 1.36 110.608 175.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . 0.405 ' O ' ' HB ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -71.17 169.01 16.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.846 -0.616 . . . . 0.92 110.643 179.033 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -38.49 65.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.698 0.285 . . . . 0.92 111.249 -178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.87 -61.42 2.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 1.85 111.548 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.48 -29.52 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.184 -0.462 . . . . 0.93 111.489 -176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -69.09 -35.52 69.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.57 -0.286 . . . . 1.18 110.567 179.165 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -40.29 78.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.597 0.237 . . . . 1.9 110.477 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -58.35 -57.27 13.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.024 -0.535 . . . . 2.25 110.582 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . 0.722 HG21 HD11 ' A' ' 923' ' ' LEU . 1.1 m -63.28 -41.57 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.757 -0.656 . . . . 0.62 112.113 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.6 OUTLIER -66.12 -46.52 77.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.886 -0.143 . . . . 0.86 111.153 -177.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 26.8 m -66.66 -42.58 86.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.686 0.279 . . . . 0.87 111.034 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -40.64 97.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.129 0.49 . . . . 1.42 110.817 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 942' ' ' ARG . 1.9 m-85 -75.24 -38.06 60.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.348 -0.387 . . . . 1.59 111.302 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.432 ' HA ' ' HE1' ' A' ' 825' ' ' MET . . . -63.41 -32.02 73.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.912 0.386 . . . . 0.61 110.262 176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -67.9 -44.81 76.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.025 -0.534 . . . . 1.87 110.683 178.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.472 ' HD3' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -72.98 -35.55 66.9 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.639 -0.424 . . . . 3.11 111.46 -176.087 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 34.6 m -72.28 -30.28 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.75 110.31 177.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.403 ' HD3' HH11 ' A' ' 944' ' ' ARG . 18.8 mtt-85 -75.16 -26.8 59.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 3.58 110.123 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -71.54 -46.81 58.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 2.78 109.912 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 28.0 m -63.37 -36.39 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.34 110.434 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -61.08 -59.07 5.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.87 -0.605 . . . . 3.53 110.468 177.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 17.4 t0 58.95 82.44 0.14 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.508 -0.769 . . . . 2.64 111.215 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.785 -0.643 . . . . 5.09 109.709 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 111.745 0.276 . . . . 7.01 111.745 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -126.14 -84.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.127 -0.358 . . . . 5.35 111.433 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.23 150.27 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.488 -0.324 . . . . 5.29 110.572 -176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.21 153.91 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.434 -0.348 . . . . 4.72 110.306 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.47 120.36 40.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.084 -0.339 . . . . 4.74 110.084 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.55 -39.53 31.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.248 -0.433 . . . . 4.86 109.982 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.85 88.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.474 -0.784 . . . . 5.08 111.689 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -81.33 70.12 8.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.495 -0.775 . . . . 3.99 109.54 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.58 91.55 2.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.292 -0.867 . . . . 1.9 109.249 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.922 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -91.45 110.44 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.221 -0.9 . . . . 1.93 111.049 -174.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 844' ' ' LEU . 4.4 mm -98.76 128.03 50.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.857 -0.61 . . . . 0.47 109.615 177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.67 HD13 HG11 ' A' ' 863' ' ' VAL . 19.8 tp -94.44 103.8 15.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 1.37 110.116 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.428 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -92.71 101.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.744 0.783 . . . . 1.06 110.349 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 875' ' ' ASP . 2.7 t -101.36 139.08 23.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.222 -0.899 . . . . 1.07 110.13 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.659 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 8.6 t70 -153.44 134.01 13.66 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.665 -0.494 . . . . 1.3 109.665 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.18 -35.18 71.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.865 -0.607 . . . . 2.03 111.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 0.5 OUTLIER -120.32 130.58 24.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.472 . . . . 2.12 111.799 -174.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 72.0 Cg_exo -50.53 -35.56 46.47 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.144 3.229 . . . . 1.12 114.981 -174.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 tp -62.02 -47.83 91.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-O 121.134 0.492 . . . . 2.26 111.41 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.659 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.7 OUTLIER -78.78 -29.09 44.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.504 -0.554 . . . . 1.83 109.504 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -54.01 -51.11 65.03 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.863 -0.608 . . . . 2.78 111.0 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 2.75 110.767 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -53.13 35.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.14 111.009 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.18 77.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 1.43 110.719 -178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.34 68.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.294 -0.412 . . . . 0.6 111.011 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -36.83 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.34 110.097 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.494 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -59.58 -43.36 93.68 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.748 -0.66 . . . . 1.85 109.783 173.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 847' ' ' LEU . 49.9 tp -65.47 -32.87 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.678 -0.692 . . . . 1.24 110.508 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.22 92.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.028 -0.606 . . . . 0.52 111.688 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 15.1 m -74.46 -21.7 59.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.7 110.844 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 844' ' ' LEU . 1.7 mt -73.89 -31.41 63.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.973 0.416 . . . . 1.56 110.407 174.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.5 13.74 64.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.897 -0.668 . . . . 0.62 113.13 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -96.19 172.74 7.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.74 0.27 . . . . 1.22 110.781 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.922 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.6 tp-100 -70.01 133.49 47.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 2.38 110.208 -178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 6.6 t -109.14 112.97 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.836 0.351 . . . . 0.94 111.134 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -115.23 112.17 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 1.44 109.388 175.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.17 144.27 25.65 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.713 0.635 . . . . 0.62 112.713 -173.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -151.28 171.13 17.93 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.855 -0.611 . . . . 0.47 109.358 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.57 71.66 1.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.086 0.772 . . . . 1.9 113.086 -177.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.1 t70 162.06 164.28 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.17 0.988 . . . . 1.45 109.761 168.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.682 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -72.17 -41.19 54.36 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.935 -0.866 . . . . 0.58 110.935 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.75 -30.88 29.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.95 110.439 176.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 20.3 t0 -62.58 -32.67 73.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.84 110.041 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.15 68.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.42 -0.809 . . . . 0.51 110.903 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.4 pp -69.5 -27.7 65.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.318 . . . . 1.85 110.745 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -51.69 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.106 -0.497 . . . . 1.72 109.758 174.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.67 HG11 HD13 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.65 -32.74 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.89 110.24 176.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.735 HD11 HG21 ' A' ' 872' ' ' VAL . 0.7 OUTLIER -65.6 -32.6 74.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 1.66 111.134 178.1 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.4 m -73.16 -28.9 62.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.82 110.171 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -22.8 23.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.024 -0.534 . . . . 3.46 111.982 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -149.95 141.11 23.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.409 0.147 . . . . 1.86 110.979 -176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -48.86 -65.89 0.49 Allowed 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.681 0.613 . . . . 3.12 112.472 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 828' ' ' LEU . 0.0 OUTLIER 66.25 151.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 O-C-N 123.601 0.563 . . . . 1.06 111.029 -173.007 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -103.86 -55.28 2.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.107 0.48 . . . . 1.64 110.806 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.9 mm -123.74 133.29 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 1.03 110.109 -178.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.735 HG21 HD11 ' A' ' 864' ' ' LEU . 74.8 t -105.29 127.13 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.815 0.341 . . . . 0.67 111.094 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 900' ' ' ILE . 11.7 mt -119.02 98.99 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.963 -0.562 . . . . 0.87 109.545 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.568 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -94.39 96.75 9.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.141 0.496 . . . . 0.73 110.075 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 0.3 OUTLIER -97.53 130.64 44.58 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.618 -0.719 . . . . 1.34 110.611 -178.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 903' ' ' THR . 0.0 OUTLIER -124.7 112.92 33.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.327 -0.397 . . . . 1.29 110.989 -179.113 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -97.32 12.76 31.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.533 0.683 . . . . 2.55 109.841 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.436 ' HA ' ' HD3' ' A' ' 879' ' ' PRO . 0.0 OUTLIER -121.24 126.64 26.48 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.275 -0.875 . . . . 3.66 109.831 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 878' ' ' MET . 8.3 Cg_exo -72.56 67.8 3.67 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.161 2.574 . . . . 3.48 112.378 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.93 164.05 26.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 4.87 110.966 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -37.19 64.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 5.58 110.924 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -96.9 109.99 22.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 4.99 110.943 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -124.84 22.77 6.37 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.939 -0.864 . . . . 3.04 110.939 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 1.003 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.9 p90 -138.9 -55.35 0.6 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.577 0.704 . . . . 2.84 112.032 -176.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.555 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.4 -24.77 57.44 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.199 -0.909 . . . . 3.36 111.216 -164.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.682 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.5 OUTLIER -66.78 -34.79 78.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 122.122 0.963 . . . . 2.34 108.868 -171.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . . . . . . . . . 31.5 m -80.57 -27.36 37.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 114.181 -1.372 . . . . 1.28 109.535 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 892' ' ' GLN . 0.4 OUTLIER -57.46 -45.51 84.69 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.336 -0.616 . . . . 2.17 109.336 173.108 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.89 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.3 -0.864 . . . . 2.36 110.759 175.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -63.0 -34.33 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.896 0.379 . . . . 1.71 110.761 177.423 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 917' ' ' SER . 1.2 ttp85 -67.03 -45.15 78.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.112 0.482 . . . . 2.24 110.329 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 42.5 mt-30 -67.01 -24.16 65.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 2.62 110.418 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -20.6 63.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 1.91 111.346 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.44 4.25 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.514 -0.851 . . . . 1.12 111.735 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -58.58 146.18 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.181 0.515 . . . . 2.89 111.639 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.12 32.35 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.856 -0.611 . . . . 2.49 110.534 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -151.16 158.63 34.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 1.4 109.806 -177.69 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.495 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 6.2 Cg_exo -78.42 138.28 15.51 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.096 2.53 . . . . 0.73 113.003 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.907 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.1 t -118.36 135.64 58.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.395 0.617 . . . . 0.64 111.17 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.556 ' HB ' HD23 ' A' ' 873' ' ' LEU . 27.5 mt -118.15 131.15 71.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.751 -0.659 . . . . 0.64 109.979 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -116.44 110.39 2.14 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.833 -0.699 . . . . 0.48 111.842 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.457 ' HB ' ' CG ' ' A' ' 875' ' ' ASP . 23.5 t -98.6 113.55 33.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.462 -0.57 . . . . 1.04 109.462 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.41 ' HA ' HG23 ' A' ' 876' ' ' VAL . 44.1 p -113.78 156.08 24.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 0.89 111.807 -170.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -109.52 104.91 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 1.19 110.761 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.22 43.45 26.6 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.707 0.63 . . . . 2.7 111.527 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -90.71 89.5 7.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.509 . . . . 2.81 110.312 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 5.9 mp -57.89 121.06 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.739 -0.664 . . . . 3.93 111.374 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 68.96 27.15 5.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.495 -0.775 . . . . 2.09 112.03 176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.46 ' OE1' ' HG3' ' A' ' 910' ' ' GLU . 1.1 pm0 -65.67 -28.39 69.05 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.909 -0.404 . . . . 3.31 109.909 176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.46 ' HG3' ' OE1' ' A' ' 909' ' ' GLU . 26.5 mt-10 -59.8 -37.11 78.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.865 -0.607 . . . . 3.58 110.35 176.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -73.91 -36.2 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 2.29 110.593 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 1.003 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -71.1 -29.21 64.99 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.245 -0.582 . . . . 2.65 110.231 178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.704 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.1 OUTLIER -63.39 -35.21 79.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 4.05 109.991 173.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.41 -26.51 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 1.65 110.145 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.109 -0.496 . . . . 1.88 111.841 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.704 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -77.89 -42.75 32.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.579 -0.448 . . . . 3.47 111.546 -178.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 50.6 m 52.26 50.49 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.493 0.923 . . . . 1.35 113.493 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -129.09 -8.31 3.76 Favored Glycine 0 C--N 1.317 -0.497 0 C-N-CA 120.158 -1.02 . . . . 1.02 111.724 173.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.907 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.1 ttm -78.83 -113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.264 . . . . 2.01 110.913 -176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' A' ' 919' ' ' MET . 19.2 t0 160.43 -53.94 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.55 1.14 . . . . 1.26 109.23 174.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 13.5 m -131.51 140.66 49.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.913 -0.585 . . . . 1.26 111.146 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 3.8 m -123.01 130.63 53.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.322 -0.399 . . . . 1.13 109.926 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 10.0 mt -120.83 177.08 5.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.886 0.374 . . . . 0.69 110.925 -176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.74 139.66 33.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.746 -0.661 . . . . 0.89 110.025 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.538 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 1.5 tptt -49.36 -39.63 40.58 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 113.523 0.934 . . . . 1.11 113.523 -178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 44.0 Cg_endo -69.4 59.59 1.45 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.767 1.645 . . . . 1.01 112.567 171.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.9 166.66 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.338 -0.392 . . . . 1.36 110.59 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.56 171.95 13.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 0.92 110.322 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -60.15 -46.27 90.24 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 123.282 0.364 . . . . 0.92 110.728 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 37.9 t70 -68.17 -41.53 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.961 -0.295 . . . . 1.85 111.044 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . 0.401 ' HA ' ' NE2' ' A' ' 934' ' ' GLN . 11.2 t -60.77 -47.98 90.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.769 0.319 . . . . 0.93 110.571 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -24.61 32.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 1.18 110.274 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -40.26 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.069 -0.514 . . . . 1.9 110.634 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 0.9 OUTLIER -61.33 -49.69 75.94 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 110.029 -0.36 . . . . 2.25 110.029 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -45.71 91.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.347 -179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.25 -49.19 72.86 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.37 -0.377 . . . . 0.86 111.417 -178.04 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.0 m -65.18 -39.82 93.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.502 -0.317 . . . . 0.87 111.527 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -38.27 73.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 1.42 110.597 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 2.6 m-30 -71.61 -36.42 70.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.905 0.383 . . . . 1.59 110.56 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.58 -35.47 80.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.61 110.859 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -71.1 -33.98 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.157 -0.312 . . . . 1.87 110.157 177.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 14.6 tpp180 -65.98 -47.29 75.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.339 -0.391 . . . . 3.11 110.31 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 31.9 m -71.62 -30.02 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.814 -0.354 . . . . 0.75 110.351 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 1.1 tpt180 -62.85 -50.49 70.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.314 -0.403 . . . . 3.58 110.595 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.07 -39.38 93.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.991 -0.549 . . . . 2.78 110.815 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 14.9 m -72.4 -25.24 61.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 1.34 111.636 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -87.05 -61.86 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 3.53 110.557 178.455 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 949' ' ' SER . 20.7 t0 -170.56 -82.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.924 -0.58 . . . . 2.64 110.107 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 948' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.842 -0.599 . . . . 5.09 109.649 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.005 0.431 . . . . 7.01 110.58 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -70.86 153.01 43.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 5.35 110.964 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.57 118.42 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.013 -0.54 . . . . 5.29 110.859 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.61 159.21 23.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.01 -0.541 . . . . 4.72 109.882 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -93.99 174.33 7.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.796 0.332 . . . . 4.74 110.906 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . 0.414 ' HB2' ' H ' ' A' ' 823' ' ' ASP . 68.0 m-20 -119.47 -89.74 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 4.86 109.813 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.576 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 9.8 t70 -172.27 -133.7 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.208 -1.36 . . . . 5.08 107.563 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.576 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 25.0 t70 165.08 -67.93 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.945 0.778 . . . . 3.99 110.364 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . 0.448 ' HE1' HG21 ' A' ' 943' ' ' VAL . 1.6 mmt -132.07 93.12 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.839 -0.618 . . . . 1.9 110.611 -177.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 26.7 ttm -89.01 117.34 27.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.018 -0.537 . . . . 1.93 110.121 177.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.3 mm -111.17 136.79 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.47 110.231 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.842 ' HB2' HG21 ' A' ' 869' ' ' ILE . 17.4 tp -105.15 119.14 38.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 1.37 110.487 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.4 m -104.25 101.73 12.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.493 0.663 . . . . 1.06 110.181 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.811 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -109.48 86.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 1.07 111.485 -174.172 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -107.66 144.12 35.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.597 0.236 . . . . 1.3 110.945 -176.204 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.42 -9.58 44.15 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.728 0.64 . . . . 2.03 112.728 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.3 OUTLIER -125.71 92.93 45.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.962 -0.461 . . . . 2.12 110.638 -179.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 39.6 Cg_exo -29.31 -41.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.755 1 C-N-CA 126.222 4.615 . . . . 1.12 116.869 -170.18 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -57.68 -36.35 54.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 120.877 0.37 . . . . 2.26 111.523 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.87 -38.46 66.98 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.632 -0.507 . . . . 1.83 109.632 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.529 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -53.4 -52.03 60.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 2.78 111.211 179.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.639 ' HD2' ' HG ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -67.02 -34.95 78.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.444 -0.344 . . . . 2.75 111.23 -177.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.639 ' HG ' ' HD2' ' A' ' 838' ' ' ARG . 20.6 mt -71.4 -45.74 62.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.232 0.539 . . . . 1.14 111.09 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.8 tp -68.16 -40.31 82.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.495 -0.775 . . . . 1.43 110.498 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.89 -31.88 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.6 110.53 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -61.68 -50.78 71.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 1.34 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.01 -37.85 86.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 1.85 111.035 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 12.4 tp -65.14 -37.86 88.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 1.24 110.828 177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.17 96.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.96 -0.564 . . . . 0.52 112.108 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -27.74 69.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.888 0.375 . . . . 0.7 110.595 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.684 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -68.14 -29.02 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 1.56 110.754 177.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.91 19.62 53.02 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.863 -0.684 . . . . 0.62 111.661 -176.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.96 153.8 19.86 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.919 -0.4 . . . . 1.22 109.919 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 3.2 mm100 -69.29 128.79 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.923 0.392 . . . . 2.38 110.604 -177.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 112.77 23.32 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.986 -176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.08 123.02 48.95 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.18 -0.674 . . . . 1.44 109.18 175.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.81 131.04 43.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.473 0.546 . . . . 0.62 112.473 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.811 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -149.18 174.44 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 0.47 108.824 176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 7.5 p-10 -151.2 73.31 1.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.628 -0.829 . . . . 1.9 113.143 -171.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.649 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 2.3 t70 162.9 156.78 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.807 0.843 . . . . 1.45 109.88 167.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.48 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -68.85 -41.17 83.72 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.189 -1.005 . . . . 0.58 111.611 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 4.7 m -73.27 -30.6 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.752 0.31 . . . . 0.95 110.656 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.88 -30.93 71.22 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.032 0.444 . . . . 0.84 110.122 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.33 -44.58 88.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 0.51 110.79 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.573 HD11 HG12 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -66.47 -38.73 87.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 1.85 110.587 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -59.62 -52.05 67.2 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.604 -0.726 . . . . 1.72 110.943 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 869' ' ' ILE . 13.7 p -70.42 -31.48 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.293 -0.412 . . . . 0.89 110.829 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 872' ' ' VAL . 0.2 OUTLIER -61.09 -37.54 83.1 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.434 -0.348 . . . . 1.66 111.526 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.1 -34.29 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.814 0.34 . . . . 0.82 110.466 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -56.02 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.964 -0.562 . . . . 3.46 110.927 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -131.79 137.92 48.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.874 -0.417 . . . . 1.86 109.874 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -77.35 92.22 3.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.26 0.552 . . . . 3.12 111.447 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.842 HG21 ' HB2' ' A' ' 828' ' ' LEU . 1.4 mp -78.97 143.09 13.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.933 -1.136 . . . . 1.06 107.933 166.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.26 -25.95 17.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.435 0.532 . . . . 1.64 112.435 -169.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 22.6 mm -129.85 125.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.243 -0.28 . . . . 1.03 110.243 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.52 HG22 HD21 ' A' ' 864' ' ' LEU . 11.7 t -98.23 123.24 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.793 -0.363 . . . . 0.67 110.936 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' A' ' 900' ' ' ILE . 28.1 mt -121.11 98.22 5.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.884 -0.413 . . . . 0.87 109.884 174.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 33.6 p -91.56 103.73 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 0.73 109.847 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.843 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 17.1 t0 -87.17 105.22 17.05 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.551 -0.75 . . . . 1.34 110.159 -177.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 27.6 t -107.76 119.43 57.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.811 -0.631 . . . . 1.29 111.207 -171.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.57 -25.81 10.72 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.462 -0.57 . . . . 2.55 109.462 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 2.4 tpt -118.68 77.94 14.96 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.628 -0.714 . . . . 3.66 111.646 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.493 ' HA ' ' HA3' ' A' ' 883' ' ' GLY . 71.5 Cg_endo -98.69 39.82 0.09 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.377 2.718 . . . . 3.48 112.075 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -82.92 -29.23 29.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 4.87 111.863 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 17.8 ttp -132.4 -50.03 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 5.58 110.654 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.417 ' OD1' ' HB3' ' A' ' 885' ' ' ARG . 27.0 t70 -95.68 -92.41 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.178 -0.675 . . . . 4.99 109.178 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.635 ' O ' HD12 ' A' ' 886' ' ' LEU . . . 55.25 -107.13 0.68 Allowed Glycine 0 C--O 1.219 -0.789 0 C-N-CA 121.299 -0.476 . . . . 3.04 112.571 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.563 ' HD2' ' HG2' ' A' ' 916' ' ' GLU . 33.1 p90 -51.83 -30.17 22.35 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 122.602 1.191 . . . . 2.84 111.349 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.787 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 1.1 tmm_? -55.02 -28.92 55.83 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.744 -1.116 . . . . 3.36 109.948 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.711 HD13 ' N ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -63.79 -25.23 68.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.205 0.526 . . . . 2.34 109.667 -177.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.711 ' N ' HD13 ' A' ' 886' ' ' LEU . 0.6 OUTLIER -71.54 -31.32 66.89 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 108.1 -1.074 . . . . 1.28 108.1 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.682 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.3 tt0 -65.64 -44.06 87.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.532 -1.213 . . . . 2.17 110.428 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.513 ' HD3' ' HA ' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -60.74 -38.63 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.93 -0.577 . . . . 2.36 110.34 177.445 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 861' ' ' LEU . 56.0 mt -59.58 -51.01 77.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.064 -0.516 . . . . 1.71 111.031 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 917' ' ' SER . 0.1 OUTLIER -63.24 -41.52 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 2.24 110.85 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.522 HE21 ' HG2' ' A' ' 888' ' ' GLN . 1.1 mp0 -67.24 -30.71 70.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 2.62 110.718 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -55.48 9.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.993 -0.549 . . . . 1.91 109.874 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.67 72.53 0.25 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.732 -0.747 . . . . 1.12 111.928 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -67.72 135.64 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 2.89 110.689 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.15 -1.22 14.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.113 -0.494 . . . . 2.49 110.406 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.31 158.63 71.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.65 -0.704 . . . . 1.4 110.194 -174.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.27 129.63 26.11 Favored 'Trans proline' 0 C--O 1.244 0.822 0 C-N-CA 123.131 2.554 . . . . 0.73 113.571 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 12.0 t -111.59 121.77 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.64 110.252 174.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.564 ' HB ' HD23 ' A' ' 873' ' ' LEU . 1.1 mt -114.31 116.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.73 -0.668 . . . . 0.64 109.497 176.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -102.5 126.64 8.94 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.449 -0.881 . . . . 0.48 112.136 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.633 HG22 HD12 ' A' ' 923' ' ' LEU . 2.1 t -91.12 95.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.203 -0.665 . . . . 1.04 109.203 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.91 173.46 7.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.815 -0.63 . . . . 0.89 111.445 -173.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -142.99 103.66 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.643 0.258 . . . . 1.19 110.869 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . 0.418 ' HB3' ' H ' ' A' ' 906' ' ' ALA . 17.1 t-20 63.96 -103.64 0.11 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.553 -0.749 . . . . 2.7 111.291 175.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.418 ' H ' ' HB3' ' A' ' 905' ' ' ASN . . . 58.62 18.24 5.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.966 0.506 . . . . 2.81 111.642 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.2 mp 69.95 -53.64 0.62 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.702 0.801 . . . . 3.93 111.713 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -139.92 71.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.424 -0.353 . . . . 2.09 110.384 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 909' ' ' GLU . 2.5 pt-20 -61.6 -50.74 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 3.31 111.537 -177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -61.15 -40.94 95.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.177 -0.465 . . . . 3.58 110.588 -179.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -36.52 84.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.754 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.7 mp0 -73.4 -31.0 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.003 0.43 . . . . 2.65 109.992 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.696 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 11.5 ttp180 -66.73 -27.53 67.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.829 -0.623 . . . . 4.05 110.085 174.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 70.3 m -76.27 -30.34 57.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 1.65 110.638 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.41 -51.32 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.02 0.438 . . . . 1.88 111.075 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.695 ' HG3' ' HA ' ' A' ' 885' ' ' ARG . 8.9 mm-40 -78.05 -25.77 47.97 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.946 -0.57 . . . . 3.47 110.564 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 50.52 53.12 13.5 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.476 1.658 . . . . 1.35 115.476 166.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.54 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.29 25.63 2.48 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.413 -1.375 . . . . 1.02 113.966 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.762 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.1 ttt -113.94 -100.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.563 0.681 . . . . 2.01 111.734 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.468 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.3 t70 160.5 -57.33 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.364 -1.289 . . . . 1.26 107.711 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 58.4 m -147.59 160.27 42.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.116 -0.947 . . . . 1.26 110.749 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.696 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 0.1 OUTLIER -133.01 147.54 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.203 -0.453 . . . . 1.13 110.41 178.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.633 HD12 HG22 ' A' ' 902' ' ' VAL . 0.2 OUTLIER -126.62 -175.69 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.502 -0.555 . . . . 0.69 109.502 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.96 135.83 50.89 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.287 -0.165 . . . . 0.89 111.008 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.501 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -43.64 -47.47 19.38 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.494 0.924 . . . . 1.11 113.494 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 22.0 Cg_exo -67.8 60.14 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.102 1.868 . . . . 1.01 112.445 174.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 1.1 t -89.33 143.4 11.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 1.36 110.41 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.62 8.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.435 -0.348 . . . . 0.92 111.413 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -55.53 -40.15 71.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.04 -0.527 . . . . 0.92 111.512 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -73.6 -43.24 60.21 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.941 -0.304 . . . . 1.85 111.109 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.65 -45.48 97.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.069 0.462 . . . . 0.93 110.621 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 847' ' ' LEU . 3.4 tt -65.0 -28.87 45.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.211 -0.45 . . . . 1.18 110.719 178.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 933' ' ' LYS . 0.3 OUTLIER -69.05 -47.61 64.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.523 -0.308 . . . . 1.9 111.472 -178.486 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.436 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -64.39 -44.85 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 2.25 110.423 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.605 -0.271 . . . . 0.62 111.477 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.684 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.4 OUTLIER -57.08 -56.61 19.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.318 0.58 . . . . 0.86 110.667 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.7 m -61.86 -41.01 97.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.06 -0.973 . . . . 0.87 111.373 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -43.21 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 1.42 111.055 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' ' 943' ' ' VAL . 10.2 m-85 -83.16 -27.33 30.16 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.159 0.429 . . . . 1.59 112.159 -174.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.69 96.66 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.311 0.577 . . . . 0.61 110.102 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 5.2 pt-20 -74.23 -26.97 60.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.868 -0.605 . . . . 1.87 110.35 177.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 5.6 ttt180 -69.08 -48.48 62.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 3.11 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 939' ' ' TYR . 5.7 m -65.14 -33.87 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.75 110.386 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -65.26 -43.06 92.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.415 . . . . 3.58 110.459 175.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.6 mtmm -64.32 -45.67 86.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 2.78 110.915 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.8 m -63.57 -41.03 98.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 1.34 111.935 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -76.07 -23.22 55.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.951 0.405 . . . . 3.53 111.063 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.11 -43.34 57.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.946 -0.57 . . . . 2.64 109.782 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-N 115.292 -0.867 . . . . 5.09 111.113 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.927 0.394 . . . . 7.01 110.154 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -163.06 123.95 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.138 -0.483 . . . . 5.35 111.196 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 20.3 t -125.69 65.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.715 . . . . 5.29 109.071 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.36 92.82 3.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 4.72 110.44 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -141.29 154.75 45.89 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.105 -0.498 . . . . 4.74 110.375 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.64 -71.8 0.23 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.652 -0.704 . . . . 4.86 109.118 174.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 8.1 t0 10.42 64.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 O-C-N 125.363 1.664 . . . . 5.08 113.592 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -120.2 65.31 0.83 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.929 -0.578 . . . . 3.99 110.657 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 3.3 ttm -86.38 106.2 17.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.756 -0.656 . . . . 1.9 109.608 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.507 ' CG ' ' HA ' ' A' ' 869' ' ' ILE . 0.7 OUTLIER -91.22 124.46 35.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.286 0.565 . . . . 1.93 110.643 -178.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.2 mm -112.97 132.26 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.216 -0.902 . . . . 0.47 109.615 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.634 ' HB2' HG21 ' A' ' 869' ' ' ILE . 22.1 tp -100.99 111.66 23.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.676 0.274 . . . . 1.37 110.895 -176.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 873' ' ' LEU . 1.5 m -92.5 95.59 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.54 . . . . 1.06 109.812 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.21 82.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.574 . . . . 1.07 110.924 -176.001 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.511 ' OD2' ' HB2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -104.53 138.75 40.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.918 0.389 . . . . 1.3 110.731 -176.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -18.6 35.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.832 -0.622 . . . . 2.03 112.234 -175.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 3.0 m80 -128.61 102.04 20.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 O-C-N 121.91 -0.494 . . . . 2.12 110.946 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 7.9 Cg_exo -30.21 -41.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.353 0.807 1 C-N-CA 126.901 5.068 . . . . 1.12 117.184 -165.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -34.89 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 117.93 0.332 . . . . 2.26 111.636 -175.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.17 -25.24 29.73 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 120.465 -0.494 . . . . 1.83 111.205 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 5.5 ttp-105 -62.2 -53.35 56.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 2.78 110.4 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.42 91.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.665 -0.698 . . . . 2.75 110.813 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 839' ' ' LEU . 2.1 mt -65.95 -41.59 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.011 0.434 . . . . 1.14 110.784 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.461 HD11 HD13 ' A' ' 932' ' ' ILE . 15.9 tp -66.47 -37.53 85.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 1.43 110.433 178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.65 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.537 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.09 -45.5 81.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 1.34 109.793 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.602 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.8 OUTLIER -63.47 -40.81 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.706 -0.679 . . . . 1.85 110.572 177.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.9 tp -62.87 -32.35 73.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 1.24 110.694 176.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.53 -36.43 91.44 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.825 -0.625 . . . . 0.52 111.977 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -32.85 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.7 110.226 175.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -34.3 67.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.882 -0.599 . . . . 1.56 110.182 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 83.71 25.28 46.8 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.624 -0.717 . . . . 0.62 112.243 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . 0.425 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 0.6 OUTLIER -99.77 167.54 10.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 1.22 111.399 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.55 127.05 31.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.845 -0.616 . . . . 2.38 110.785 -178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.7 m -105.66 119.12 38.33 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.151 -0.477 . . . . 0.94 110.625 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -110.86 116.52 31.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.911 -0.586 . . . . 1.44 109.672 177.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.21 129.17 35.83 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.452 0.538 . . . . 0.62 112.452 -172.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.765 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -156.78 163.81 38.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.457 -0.942 . . . . 0.47 108.457 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -146.85 70.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.292 -0.963 . . . . 1.9 112.712 -171.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.64 158.23 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.399 1.062 . . . . 1.45 109.504 171.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -65.07 -45.9 90.42 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.24 -0.505 . . . . 0.58 113.246 -176.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 34.9 m -74.74 -29.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 117.195 0.497 . . . . 0.95 112.006 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.15 -28.02 69.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.889 0.376 . . . . 0.84 110.444 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -61.11 -38.02 84.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.157 -0.474 . . . . 0.51 110.132 173.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 890' ' ' ILE . 3.2 mm? -67.82 -40.32 83.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 1.85 110.215 175.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.86 -53.37 59.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.609 -0.723 . . . . 1.72 110.545 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 869' ' ' ILE . 12.0 p -67.55 -32.0 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.261 -0.427 . . . . 0.89 110.716 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.1 OUTLIER -63.11 -40.17 96.83 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.954 0.407 . . . . 1.66 110.519 176.198 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 12.8 m -69.24 -27.31 65.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.452 . . . . 0.82 110.555 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -45.45 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 3.46 111.551 -178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.33 146.32 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.87 0.367 . . . . 1.86 110.774 -175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.07 112.39 9.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.279 0.561 . . . . 3.12 111.255 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.634 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.7 mp -96.43 145.37 8.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.076 -1.083 . . . . 1.06 108.076 168.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . 0.45 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.2 m-20 -90.18 -47.13 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.843 -0.343 . . . . 1.64 111.535 -173.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.669 ' HB ' HG23 ' A' ' 827' ' ' ILE . 12.4 mm -122.24 122.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.849 -0.426 . . . . 1.03 109.849 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.07 124.67 70.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.955 -0.298 . . . . 0.67 110.781 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.69 106.23 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.803 -0.443 . . . . 0.87 109.803 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.58 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.158 0.504 . . . . 0.73 110.673 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.657 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 61.8 t0 -102.98 120.07 39.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.38 -0.827 . . . . 1.34 110.456 -176.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.5 118.4 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.351 -0.386 . . . . 1.29 111.235 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.505 ' HA ' ' HB3' ' A' ' 904' ' ' ALA . 19.0 t-20 -101.68 -14.35 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.122 0.487 . . . . 2.55 110.103 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.449 ' HA ' ' HD3' ' A' ' 879' ' ' PRO . 6.4 ttp -84.16 109.88 22.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 3.66 110.35 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 878' ' ' MET . 4.8 Cg_exo -78.13 65.22 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.387 2.724 . . . . 3.48 112.45 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -101.1 -178.24 3.69 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 4.87 109.655 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 10.3 mtm -84.83 30.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.182 0.515 . . . . 5.58 110.079 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.64 -24.27 12.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.927 -0.579 . . . . 4.99 110.34 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -56.15 150.32 24.69 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 110.523 -1.031 . . . . 3.04 110.523 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 1.058 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER 65.75 -56.35 0.34 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.415 0.626 . . . . 2.84 111.123 -168.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -59.21 -27.38 65.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 115.675 -0.693 . . . . 3.36 112.231 -168.111 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.508 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.2 OUTLIER -72.82 -26.46 61.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 122.535 1.159 . . . . 2.34 108.58 -171.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 1.081 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 56.7 m -84.89 -24.67 28.4 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 113.953 -1.476 . . . . 1.28 108.843 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 11.8 tm0? -56.84 -39.71 74.75 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.116 -0.698 . . . . 2.17 109.116 169.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 889' ' ' ARG . 0.0 OUTLIER -58.38 -43.95 88.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.512 -0.767 . . . . 2.36 109.95 170.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.932 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.3 OUTLIER -53.8 -41.32 47.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-O 120.921 0.391 . . . . 1.71 110.68 175.014 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 2.24 110.992 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.73 -40.05 82.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 2.62 110.535 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -49.45 33.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.806 -0.634 . . . . 1.91 110.194 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.78 92.18 2.25 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.082 -0.807 . . . . 1.12 111.082 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.698 HD13 ' HG ' ' A' ' 897' ' ' LEU . 0.5 OUTLIER -88.49 155.04 19.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.383 0.611 . . . . 2.89 111.74 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.5 t -124.95 13.19 8.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 2.49 109.51 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.698 ' HG ' HD13 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -139.2 159.67 65.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.11 -0.95 . . . . 1.4 110.263 -174.067 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.65 139.02 12.33 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 123.104 2.536 . . . . 0.73 113.117 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.775 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 68.2 t -112.73 122.31 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.437 0.636 . . . . 0.64 110.821 177.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 0.0 OUTLIER -100.92 112.78 34.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.685 -0.689 . . . . 0.64 109.198 174.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.37 104.37 3.16 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.519 -0.848 . . . . 0.48 112.576 -175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 2.2 t -79.62 94.23 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.806 -0.812 . . . . 1.04 108.806 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 906' ' ' ALA . 0.6 OUTLIER -107.88 130.9 54.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.051 0.453 . . . . 0.89 112.167 -171.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -119.14 128.81 54.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.816 -0.629 . . . . 1.19 109.842 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 65.84 22.61 11.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.194 0.521 . . . . 2.7 111.33 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 903' ' ' THR . . . -113.69 90.87 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 2.81 109.984 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 168.71 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 3.93 111.118 -177.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 60.96 34.14 19.54 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.415 0.626 . . . . 2.09 109.796 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -70.9 -26.22 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.057 -0.974 . . . . 3.31 111.622 -173.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.76 -48.29 69.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.244 -0.65 . . . . 3.58 109.244 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -35.32 78.54 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.509 -0.769 . . . . 2.29 110.818 178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 1.058 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -68.69 -36.94 79.15 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 120.472 -0.491 . . . . 2.65 109.855 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.483 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -61.51 -31.53 71.53 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.647 0.592 . . . . 4.05 110.457 177.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.24 -34.68 59.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.247 -0.433 . . . . 1.65 110.722 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.31 -51.88 21.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 1.88 111.956 -178.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 1.081 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -77.16 -31.77 55.77 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.984 -0.376 . . . . 3.47 109.984 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.61 51.58 15.78 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.648 0.981 . . . . 1.35 113.648 172.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -143.64 -2.94 0.87 Allowed Glycine 0 C--N 1.317 -0.492 0 C-N-CA 119.548 -1.31 . . . . 1.02 112.765 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.775 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.0 OUTLIER -77.92 -128.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 2.01 111.552 -175.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 919' ' ' MET . 6.6 t70 173.77 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.512 -0.921 . . . . 1.26 108.512 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 11.4 m -142.03 140.47 32.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.688 -0.687 . . . . 1.26 110.336 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 140.27 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.429 -0.35 . . . . 1.13 110.797 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.472 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -134.96 -179.65 5.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.69 110.333 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.549 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.1 OUTLIER -106.54 158.95 16.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.975 -0.557 . . . . 0.89 110.147 179.179 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.699 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 1.9 tptt -52.18 -48.85 87.63 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.764 0.653 . . . . 1.11 112.764 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 8.2 Cg_exo -73.29 70.02 3.97 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.038 1.825 . . . . 1.01 112.565 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.21 117.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.532 . . . . 1.36 110.792 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.02 157.45 25.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.934 -0.575 . . . . 0.92 110.918 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -53.51 -46.54 70.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.92 111.378 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . 0.544 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 1.7 t0 -75.0 -27.31 60.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.831 -0.348 . . . . 1.85 111.406 -176.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.67 -47.63 75.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.237 -0.653 . . . . 0.93 109.237 176.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -68.55 -21.47 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.902 -0.59 . . . . 1.18 110.521 176.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -68.93 -43.23 75.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 1.9 111.051 179.24 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.484 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.03 -42.33 80.77 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.305 -0.558 . . . . 2.25 110.08 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.57 82.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.62 111.207 178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.03 -49.93 75.43 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.86 110.706 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 87.3 m -62.27 -44.25 96.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.106 -0.497 . . . . 0.87 111.285 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 3.2 tp -65.81 -38.85 90.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.014 0.435 . . . . 1.42 111.048 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.675 ' HA ' ' HD2' ' A' ' 942' ' ' ARG . 3.8 m-30 -72.24 -41.69 66.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.379 -0.373 . . . . 1.59 110.8 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.71 95.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.61 111.307 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -68.71 -39.09 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.808 -0.357 . . . . 1.87 110.268 178.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.675 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -68.1 -40.89 82.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.394 -0.366 . . . . 3.11 111.32 -176.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.34 -30.28 30.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.75 110.345 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.12 98.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.735 -0.468 . . . . 3.58 109.735 174.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -64.91 -43.81 91.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.582 . . . . 2.78 110.077 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.8 m -63.95 -17.54 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.114 -0.493 . . . . 1.34 111.937 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.91 -30.48 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.576 0.227 . . . . 3.53 111.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 -38.73 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.568 -0.287 . . . . 2.64 111.645 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.54 -0.743 . . . . 5.09 110.638 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 110.003 -0.369 . . . . 7.01 110.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -82.79 49.4 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 5.35 111.313 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 43.8 t -136.34 108.4 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.266 -0.642 . . . . 5.29 109.266 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 11.6 p -141.82 -82.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.179 0.514 . . . . 4.72 111.465 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -77.35 172.87 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 4.74 111.495 -174.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -146.16 -22.01 0.44 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 4.86 110.436 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 3.9 t0 54.11 60.04 3.85 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.559 0.695 . . . . 5.08 109.928 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -78.67 60.95 2.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 3.99 110.891 -175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.68 103.72 9.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 1.9 110.627 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.473 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 17.3 mtm -94.39 124.02 38.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.513 -0.767 . . . . 1.93 110.46 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.512 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.2 mm -116.62 137.18 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.548 -0.751 . . . . 0.47 110.046 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.713 HD22 HD13 ' A' ' 869' ' ' ILE . 23.9 tp -106.63 107.5 18.54 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.276 -0.42 . . . . 1.37 110.14 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -97.48 95.64 4.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.492 0.663 . . . . 1.06 110.194 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.546 HG22 ' HB3' ' A' ' 854' ' ' ALA . 3.5 t -105.78 140.99 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 1.07 109.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.747 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.39 149.01 20.31 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.111 -0.329 . . . . 1.3 110.111 173.463 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -16.71 34.69 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.224 0.453 . . . . 2.03 112.224 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -118.31 90.15 37.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 119.824 -0.131 . . . . 2.12 110.672 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -34.32 -35.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.829 1 C-N-CA 125.507 4.138 . . . . 1.12 116.568 -168.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.0 OUTLIER -58.09 -38.2 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.852 0.358 . . . . 2.26 111.139 178.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.06 -27.8 30.02 Favored 'General case' 0 C--O 1.222 -0.386 0 O-C-N 122.211 -0.306 . . . . 1.83 110.37 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 4.1 ttp180 -55.06 -49.05 72.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.233 0.54 . . . . 2.78 110.375 172.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.3 OUTLIER -66.82 -36.54 82.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 2.75 110.616 -179.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.09 73.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 1.14 111.399 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.01 -41.83 97.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.671 -0.695 . . . . 1.43 110.272 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.64 61.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.6 110.887 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -48.4 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.329 0.585 . . . . 1.34 110.232 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.61 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -67.62 -32.62 73.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.679 -0.691 . . . . 1.85 110.45 178.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.623 HD23 ' HB3' ' A' ' 851' ' ' CYS . 13.7 tp -65.67 -31.91 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 1.24 110.199 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.65 91.04 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.841 -0.618 . . . . 0.52 111.788 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -35.31 75.69 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.769 0.319 . . . . 0.7 110.214 173.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -50.13 44.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.056 0.455 . . . . 1.56 110.462 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.33 22.66 21.56 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.86 -0.686 . . . . 0.62 112.952 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.51 175.86 6.07 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.006 -0.368 . . . . 1.22 110.006 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.6 OUTLIER -69.61 119.21 13.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.686 0.279 . . . . 2.38 111.23 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.623 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -104.53 103.24 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.936 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -105.07 113.51 27.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.887 -0.412 . . . . 1.44 109.887 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.88 145.46 24.73 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.944 0.72 . . . . 0.62 112.944 -172.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.546 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -146.77 170.02 17.87 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.529 -1.285 . . . . 0.47 107.529 171.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.614 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 2.0 p-10 -145.01 72.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.102 -1.039 . . . . 1.9 112.991 -174.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.614 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 4.4 t70 162.78 160.07 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.094 0.871 . . . . 1.45 109.264 172.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.579 ' O ' HD13 ' A' ' 886' ' ' LEU . . . -68.08 -49.85 44.25 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.502 -0.856 . . . . 0.58 110.966 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -72.41 -28.47 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.576 0.226 . . . . 0.95 110.905 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.2 t0 -58.39 -32.5 68.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.993 0.425 . . . . 0.84 110.453 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -63.81 -35.24 79.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.51 110.672 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 861' ' ' LEU . 3.5 mm? -64.54 -39.52 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 1.85 110.242 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -51.82 59.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 1.72 110.579 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 860' ' ' ALA . 9.0 p -67.1 -32.17 56.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.586 -0.279 . . . . 0.89 111.349 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.61 -31.89 71.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.957 0.408 . . . . 1.66 111.214 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 30.4 m -79.08 -21.04 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.908 0.385 . . . . 0.82 110.769 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -43.18 13.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 3.46 111.019 178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.08 150.0 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.469 -0.332 . . . . 1.86 110.569 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.58 93.63 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.999 0.428 . . . . 3.12 110.921 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.713 HD13 HD22 ' A' ' 828' ' ' LEU . 1.2 mp -81.04 155.81 4.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.241 -0.651 . . . . 1.06 109.241 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -67.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.524 -0.47 . . . . 1.64 111.034 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 48.8 mm -94.39 116.61 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.339 -0.391 . . . . 1.03 110.174 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.638 HG13 HD23 ' A' ' 828' ' ' LEU . 53.4 t -106.37 123.15 60.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.599 0.238 . . . . 0.67 110.795 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 900' ' ' ILE . 1.1 mt -121.22 114.57 21.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.284 -0.417 . . . . 0.87 109.942 176.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.523 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 6.4 p -111.04 107.3 16.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.743 0.306 . . . . 0.73 110.387 178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 60.6 t0 -92.23 121.31 33.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.791 -0.641 . . . . 1.34 110.723 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.74 122.54 68.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.769 -0.65 . . . . 1.29 109.896 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -84.1 -21.89 31.32 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.697 0.761 . . . . 2.55 109.5 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 28.4 ttm -128.53 117.36 19.85 Favored Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 114.84 -1.073 . . . . 3.66 111.226 -170.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.638 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 60.8 Cg_endo -73.17 8.18 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.996 2.464 . . . . 3.48 112.267 177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -88.67 -1.14 57.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 4.87 110.999 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 1.2 ptp -131.06 -167.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 5.58 111.231 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 885' ' ' ARG . 0.2 OUTLIER -73.32 76.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 4.99 111.553 -174.396 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 886' ' ' LEU . . . -101.54 -86.4 1.93 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.892 -0.883 . . . . 3.04 110.892 172.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.644 ' HB2' ' HB3' ' A' ' 912' ' ' GLN . 1.1 p90 -46.27 -51.54 14.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.353 1.073 . . . . 2.84 110.474 169.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.69 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.1 OUTLIER -58.43 -26.96 63.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.164 -1.38 . . . . 3.36 111.58 -176.309 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 857' ' ' GLY . 0.3 OUTLIER -67.8 -27.17 66.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.274 -1.01 . . . . 2.34 108.274 -175.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.907 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -80.23 -26.06 39.28 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 113.894 -1.503 . . . . 1.28 108.22 -178.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.647 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 3.6 tp-100 -62.84 -40.09 96.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 2.17 109.416 171.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -36.9 83.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.802 -0.635 . . . . 2.36 110.176 177.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' A' ' 895' ' ' LEU . 75.9 mt -62.14 -35.65 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.786 -0.643 . . . . 1.71 110.303 176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.702 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -65.13 -36.46 84.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 2.24 110.519 176.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -76.74 -18.81 58.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.206 0.527 . . . . 2.62 110.483 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -25.53 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 1.91 110.432 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 83.15 80.37 1.0 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 1.12 111.933 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' A' ' 890' ' ' ILE . 1.0 OUTLIER -73.43 142.41 46.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.09 0.471 . . . . 2.89 111.257 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.71 20.71 6.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.668 -0.696 . . . . 2.49 109.525 174.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.6 160.66 55.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.16 -0.927 . . . . 1.4 110.209 -172.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.6 113.18 3.72 Favored 'Trans proline' 0 C--O 1.24 0.575 0 C-N-CA 122.711 2.274 . . . . 0.73 112.262 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.748 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 32.6 t -99.09 110.08 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.303 0.573 . . . . 0.64 110.048 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 873' ' ' LEU . 0.7 OUTLIER -101.79 107.37 21.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.395 0.617 . . . . 0.64 109.829 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.66 101.64 2.66 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 115.504 -0.771 . . . . 0.48 112.616 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.668 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 30.5 t -75.84 121.08 26.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.527 -0.916 . . . . 1.04 108.527 173.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -134.29 139.66 45.86 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.663 -0.415 . . . . 0.89 111.661 -173.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -105.37 104.14 13.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 1.19 110.049 173.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 50.03 67.94 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.627 -0.715 . . . . 2.7 111.812 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -89.43 5.58 44.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.395 -0.366 . . . . 2.81 110.256 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 1.7 mt 59.76 83.48 0.13 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.337 -0.847 . . . . 3.93 110.797 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 65.16 52.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.586 -0.734 . . . . 2.09 110.413 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.821 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 1.5 pm0 -57.37 -22.84 45.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.565 -0.743 . . . . 3.31 111.576 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -58.77 -48.21 82.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.0 0.429 . . . . 3.58 110.354 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.72 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 2.29 110.375 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.644 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 2.0 mp0 -64.22 -40.53 96.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 2.65 110.253 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -59.94 -39.83 86.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 4.05 110.744 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 33.5 m -73.05 -32.42 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.986 0.422 . . . . 1.65 110.827 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -47.58 59.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.007 -0.542 . . . . 1.88 111.123 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.907 ' HB2' HG22 ' A' ' 887' ' ' THR . 24.7 mm-40 -78.04 -24.18 47.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.007 0.432 . . . . 3.47 110.313 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . 0.702 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER 51.21 50.98 17.9 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.937 1.088 . . . . 1.35 113.937 170.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 887' ' ' THR . . . -148.39 26.02 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.682 -0.77 . . . . 1.02 112.543 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.748 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.2 ttm -113.81 -110.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.963 0.411 . . . . 2.01 111.544 -173.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 919' ' ' MET . 10.0 t70 163.73 -60.17 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 107.761 -1.2 . . . . 1.26 107.761 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.11 163.71 36.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.028 -0.987 . . . . 1.26 109.601 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 139.99 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 1.13 110.927 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 902' ' ' VAL . 1.7 mt -122.59 -175.14 3.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.815 -0.63 . . . . 0.69 109.522 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 903' ' ' THR . 4.5 m -111.27 151.2 28.6 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.563 -0.162 . . . . 0.89 110.563 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.702 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 4.6 tttp -47.97 -42.53 49.04 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.436 0.902 . . . . 1.11 113.436 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.6 Cg_endo -65.13 61.45 0.32 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.172 1.915 . . . . 1.01 113.574 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.63 81.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.587 -0.523 . . . . 1.36 109.587 173.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -176.82 3.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.709 -0.678 . . . . 0.92 110.588 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -29.81 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.311 0.576 . . . . 0.92 109.613 175.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -68.06 -61.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.343 -0.844 . . . . 1.85 109.884 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.68 -43.14 86.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.579 -0.737 . . . . 0.93 111.587 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 936' ' ' LEU . 3.0 tt -68.44 -32.61 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.925 0.343 . . . . 1.18 111.925 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -44.84 37.4 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.355 -0.538 . . . . 1.9 111.844 -176.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -42.9 98.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.41 -0.516 . . . . 2.25 110.029 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.4 m -67.69 -50.2 58.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.62 111.509 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -61.62 -50.31 73.09 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.751 -0.204 . . . . 0.86 111.286 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 11.6 m -61.69 -44.2 97.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.469 -0.332 . . . . 0.87 111.689 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -69.43 -36.05 76.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.731 0.301 . . . . 1.42 111.294 -177.146 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.421 ' O ' HG22 ' A' ' 943' ' ' VAL . 12.4 m-85 -81.16 -32.19 33.77 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.818 -0.353 . . . . 1.59 111.461 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.53 -43.55 96.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.03 0.443 . . . . 0.61 110.667 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.8 OUTLIER -71.73 -34.05 69.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.573 -0.451 . . . . 1.87 110.307 177.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.589 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.58 -42.93 91.18 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.684 -0.234 . . . . 3.11 111.251 -178.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.532 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 17.2 m -72.71 -30.66 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.585 -0.446 . . . . 0.75 110.566 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -70.21 -43.74 70.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 3.58 111.071 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.589 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -73.32 -33.87 65.39 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.001 -0.28 . . . . 2.78 111.092 -179.526 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 34.1 m -73.69 -19.04 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 1.34 110.857 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -83.87 -56.66 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 3.53 110.269 176.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.8 t0 57.78 85.39 0.09 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 124.037 0.836 . . . . 2.64 111.558 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-N 115.508 -0.769 . . . . 5.09 109.795 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.7 mptt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.991 -0.374 . . . . 7.01 109.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -153.05 -178.44 6.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.372 -0.376 . . . . 5.35 110.977 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.27 119.29 9.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.399 -0.593 . . . . 5.29 109.399 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 105.57 10.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.109 -0.496 . . . . 4.72 110.404 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -88.75 122.61 32.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.021 -0.536 . . . . 4.74 110.179 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -70.19 -84.48 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.784 0.802 . . . . 4.86 110.492 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -173.85 100.32 0.11 Allowed 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 113.738 -1.574 . . . . 5.08 108.435 -175.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -69.85 -5.23 24.31 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.577 -1.192 . . . . 3.99 112.258 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . 0.577 ' SD ' ' HB1' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -142.81 119.83 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 1.9 111.132 -178.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.4 ptp -113.94 122.57 47.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.144 0.497 . . . . 1.93 110.596 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.763 ' HB ' HD21 ' A' ' 844' ' ' LEU . 2.7 mm -119.09 140.92 41.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.478 -0.783 . . . . 0.47 110.074 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.892 ' HB2' HG21 ' A' ' 869' ' ' ILE . 11.6 tp -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.265 -0.425 . . . . 1.37 110.938 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.471 HG13 HD22 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.2 98.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.444 0.64 . . . . 1.06 109.904 176.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 854' ' ' ALA . 21.0 t -109.62 143.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.53 -0.759 . . . . 1.07 110.106 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.736 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.49 146.04 18.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.056 -0.72 . . . . 1.3 109.056 171.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -13.29 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.529 0.566 . . . . 2.03 112.529 -172.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.9 OUTLIER -130.95 92.97 32.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 O-C-N 122.198 -0.314 . . . . 2.12 110.744 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 67.6 Cg_exo -22.86 -44.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 1 C-N-CA 127.257 5.305 . . . . 1.12 118.02 -167.198 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.7 OUTLIER -55.31 -37.04 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 117.994 0.361 . . . . 2.26 111.958 -175.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -75.05 -39.46 60.94 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.904 -0.318 . . . . 1.83 110.18 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.883 ' HD3' ' HB ' ' A' ' 853' ' ' THR . 6.9 ttm180 -58.07 -47.66 82.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.869 -0.605 . . . . 2.78 111.535 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -67.95 -35.32 78.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.588 -0.278 . . . . 2.75 111.14 -177.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.35 75.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.071 0.463 . . . . 1.14 110.384 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 932' ' ' ILE . 14.7 tp -63.27 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 1.43 110.533 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.2 -25.45 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.6 111.36 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.54 -44.2 75.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.237 0.541 . . . . 1.34 109.777 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.711 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.3 OUTLIER -61.81 -49.63 75.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.405 -0.816 . . . . 1.85 110.394 177.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.763 HD21 ' HB ' ' A' ' 827' ' ' ILE . 42.6 tp -60.21 -41.59 93.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.929 -0.578 . . . . 1.24 111.066 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.78 -33.75 88.09 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.976 -0.63 . . . . 0.52 112.205 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 21.9 m -68.63 -26.99 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.319 . . . . 0.7 111.026 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.5 HD12 ' HG ' ' A' ' 936' ' ' LEU . 17.7 mt -71.27 -36.81 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 1.56 110.58 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 113.35 33.35 1.96 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.643 -0.789 . . . . 0.62 112.362 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -119.31 160.24 22.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.057 -0.349 . . . . 1.22 110.057 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.41 116.25 23.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 2.38 110.271 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.41 108.67 20.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.94 111.614 -176.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.465 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.1 OUTLIER -98.36 113.76 25.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.135 -0.691 . . . . 1.44 109.135 174.551 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.883 ' HB ' ' HD3' ' A' ' 837' ' ' ARG . 25.5 p -90.84 149.13 22.08 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.218 0.533 . . . . 0.62 112.052 -171.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.667 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.7 172.48 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.284 -0.871 . . . . 0.47 109.393 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.3 OUTLIER -141.59 70.54 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.158 -0.617 . . . . 1.9 112.104 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t70 161.39 166.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.288 1.035 . . . . 1.45 109.593 170.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.528 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -75.41 -42.55 27.4 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.602 -0.809 . . . . 0.58 111.123 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.425 HG22 ' OD1' ' A' ' 856' ' ' ASP . 14.9 m -73.29 -28.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.95 110.677 178.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 26.8 t0 -55.45 -41.41 72.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.308 0.575 . . . . 0.84 109.88 172.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.378 -0.828 . . . . 0.51 110.96 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 890' ' ' ILE . 2.8 mm? -57.78 -44.28 86.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.095 0.474 . . . . 1.85 110.948 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.67 -52.54 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.642 -0.708 . . . . 1.72 111.064 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.717 ' HA ' ' HE2' ' A' ' 866' ' ' LYS . 13.5 p -65.83 -32.83 59.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.89 111.043 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 872' ' ' VAL . 7.8 mt -65.03 -34.57 78.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.864 0.364 . . . . 1.66 110.981 177.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 19.5 m -70.58 -35.23 72.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.174 -0.466 . . . . 0.82 110.642 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 863' ' ' VAL . 27.3 mtmt -80.03 -30.64 39.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.15 -0.477 . . . . 3.46 111.439 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -154.39 136.17 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.35 -0.387 . . . . 1.86 110.353 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -78.06 97.37 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.119 0.485 . . . . 3.12 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.892 HG21 ' HB2' ' A' ' 828' ' ' LEU . 3.3 mp -75.91 132.57 32.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 107.445 -1.317 . . . . 1.06 107.445 165.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.41 -39.87 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.284 -0.567 . . . . 1.64 111.626 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 940' ' ' ALA . 7.8 mt -131.32 131.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.282 -0.266 . . . . 1.03 110.282 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 864' ' ' LEU . 53.9 t -115.07 124.22 71.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.571 -0.286 . . . . 0.67 110.829 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -114.98 111.39 21.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.914 -0.402 . . . . 0.87 109.914 176.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.508 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -105.99 110.62 22.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.986 0.422 . . . . 0.73 110.629 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 52.0 t0 -94.94 125.75 39.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.683 -0.689 . . . . 1.34 110.54 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 878' ' ' MET . 3.3 t -117.64 126.14 74.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.128 -0.487 . . . . 1.29 110.41 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.593 ' HB2' ' HE2' ' A' ' 925' ' ' LYS . 0.0 OUTLIER -90.74 -13.62 33.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 2.55 109.842 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.504 ' H ' HG12 ' A' ' 876' ' ' VAL . 2.0 tpt -112.99 95.47 34.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 3.66 111.656 -174.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.446 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 57.2 Cg_endo -72.35 -8.65 23.06 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.702 2.268 . . . . 3.48 111.966 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -85.11 1.81 46.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 4.87 110.405 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.503 ' HB3' ' H ' ' A' ' 882' ' ' ASP . 0.4 OUTLIER -128.49 -138.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 5.58 110.778 -177.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.503 ' H ' ' HB3' ' A' ' 881' ' ' MET . 50.4 t0 -102.43 120.92 41.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 4.99 112.211 -173.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.498 ' HA2' HG21 ' A' ' 876' ' ' VAL . . . -135.24 7.23 4.36 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.629 -0.988 . . . . 3.04 110.629 170.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 1.062 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 1.8 p90 -128.05 -53.08 1.31 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.878 0.846 . . . . 2.84 111.518 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.649 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.29 -27.4 62.11 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.939 -1.028 . . . . 3.36 110.535 -168.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.596 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -65.16 -29.24 70.06 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.692 0.758 . . . . 2.34 109.871 -173.133 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 1.064 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 87.4 m -85.35 -24.88 27.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.088 -0.96 . . . . 1.28 109.046 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 22.7 tt0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.915 -0.772 . . . . 2.17 108.915 170.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -30.78 63.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.153 -0.931 . . . . 2.36 110.209 173.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.62 ' HB ' ' HA ' ' A' ' 887' ' ' THR . 1.0 OUTLIER -60.56 -46.97 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.35 -0.386 . . . . 1.71 110.938 176.292 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.8 OUTLIER -69.65 -30.67 68.41 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.699 -0.4 . . . . 2.24 110.395 178.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -39.63 87.34 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.246 0.546 . . . . 2.62 110.572 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -46.79 33.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 1.91 110.39 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 128.54 83.35 0.37 Allowed Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.328 -0.709 . . . . 1.12 111.328 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 138.53 57.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.174 0.512 . . . . 2.89 111.381 -174.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.29 33.77 1.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.723 -0.671 . . . . 2.49 109.767 177.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.52 155.62 13.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 1.4 110.214 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.01 131.59 13.31 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 123.058 2.505 . . . . 0.73 112.398 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.714 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.8 t -108.66 128.64 64.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.115 -0.493 . . . . 0.64 110.073 176.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 55.0 mt -117.41 112.42 38.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.835 -0.621 . . . . 0.64 109.766 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.3 115.65 4.97 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.65 -0.786 . . . . 0.48 112.573 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -85.58 125.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.023 -1.103 . . . . 1.04 108.023 173.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 909' ' ' GLU . 4.1 p -137.91 148.6 45.47 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.442 -0.503 . . . . 0.89 111.938 -169.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.01 102.96 9.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.294 -0.412 . . . . 1.19 110.413 173.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 47.66 54.97 9.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.355 -0.839 . . . . 2.7 112.188 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.683 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -89.52 51.66 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.158 -0.474 . . . . 2.81 110.723 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.455 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.2 OUTLIER 59.82 -102.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.461 -0.791 . . . . 3.93 110.303 -177.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.455 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -120.7 92.19 3.71 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.21 -0.663 . . . . 2.09 109.21 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.683 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 41.6 mp0 -60.44 -35.7 76.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.084 -0.507 . . . . 3.31 111.404 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -65.38 -27.88 68.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.99 0.424 . . . . 3.58 110.124 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -36.02 57.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.953 -0.567 . . . . 2.29 110.59 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 1.062 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.1 OUTLIER -75.06 -29.78 60.83 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.689 -0.804 . . . . 2.65 109.562 176.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.491 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 9.3 ttp85 -62.55 -36.25 82.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.367 0.603 . . . . 4.05 109.888 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 96.9 m -74.2 -30.62 62.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 1.65 110.299 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.0 OUTLIER -70.76 -52.57 19.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 1.88 111.398 -178.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 1.064 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.41 -26.38 41.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.497 -0.32 . . . . 3.47 110.734 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.5 50.26 17.72 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.87 1.063 . . . . 1.35 113.87 173.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.408 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -148.36 -16.35 0.11 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.487 -1.34 . . . . 1.02 114.216 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.717 ' O ' ' HB2' ' A' ' 920' ' ' ASP . 4.9 mmt -62.82 -111.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.46 0.541 . . . . 2.01 112.46 -172.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.717 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.1 t0 153.79 -58.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.439 1.096 . . . . 1.26 109.608 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.51 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.7 OUTLIER -125.63 150.43 47.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 1.26 110.44 -178.508 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.36 132.78 36.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.23 -0.441 . . . . 1.13 109.933 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 7.7 mt -128.37 178.73 6.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.742 0.306 . . . . 0.69 110.639 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 159.53 15.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.191 -0.459 . . . . 0.89 110.131 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.593 ' HE2' ' HB2' ' A' ' 877' ' ' ASN . 1.0 OUTLIER -59.33 -48.42 96.09 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.702 0.63 . . . . 1.11 112.702 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.4 Cg_exo -74.69 68.41 5.48 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.241 1.96 . . . . 1.01 112.684 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.44 116.18 31.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.181 -0.463 . . . . 1.36 110.521 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 176.7 9.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.191 -0.459 . . . . 0.92 111.759 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.711 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -56.2 -46.96 79.23 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.271 -0.422 . . . . 0.92 111.458 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.59 -37.92 49.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.713 -0.395 . . . . 1.85 111.791 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.2 -44.67 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.394 0.616 . . . . 0.93 109.754 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.845 HG23 HD23 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -61.74 -38.45 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.346 -0.843 . . . . 1.18 109.686 174.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -63.23 -48.72 77.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.928 -0.578 . . . . 1.9 112.027 -176.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -47.28 84.57 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.69 -0.404 . . . . 2.25 110.869 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 5.2 m -65.11 -44.31 89.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.62 111.518 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.845 HD23 HG23 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -64.15 -57.4 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.86 111.473 -178.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . 0.49 ' O ' ' HB3' ' A' ' 941' ' ' GLU . 11.2 m -56.87 -46.01 82.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 0.87 111.389 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 942' ' ' ARG . 0.5 OUTLIER -58.78 -53.01 63.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.472 -0.331 . . . . 1.42 111.369 -177.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.502 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.4 OUTLIER -75.12 -46.97 30.96 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.926 0.343 . . . . 1.59 111.926 -174.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 871' ' ' ILE . . . -62.52 -42.11 99.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.61 111.512 -176.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 937' ' ' THR . 0.0 OUTLIER -74.64 -29.96 61.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.785 -0.366 . . . . 1.87 110.263 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 938' ' ' LEU . 0.0 OUTLIER -63.77 -47.56 80.46 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.701 -0.227 . . . . 3.11 110.422 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 939' ' ' TYR . 1.7 m -69.48 -39.07 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.683 -0.407 . . . . 0.75 110.375 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 944' ' ' ARG . 2.4 ttp180 -61.6 -48.58 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.444 -0.344 . . . . 3.58 110.961 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -18.38 61.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.756 -0.202 . . . . 2.78 111.519 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 70.4 m -69.61 -40.26 76.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 1.34 110.354 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 947' ' ' ARG . 2.9 mpt_? -82.73 -27.04 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 3.53 110.243 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.1 t0 71.86 168.69 0.31 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.107 -0.951 . . . . 2.64 111.013 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.871 -0.585 . . . . 5.09 110.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 17.1 mttt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 109.906 -0.405 . . . . 7.01 109.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -95.27 119.56 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.199 -0.455 . . . . 5.35 111.035 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.26 109.52 21.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.151 -0.477 . . . . 5.29 109.831 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.47 121.12 31.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.44 . . . . 4.72 110.576 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -153.72 -176.9 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 4.74 110.718 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . 0.407 ' HB3' ' H ' ' A' ' 823' ' ' ASP . 0.2 OUTLIER -178.93 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.394 -0.821 . . . . 4.86 109.325 176.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 850' ' ' GLN . 0.5 OUTLIER -156.02 -44.3 0.08 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.054 -0.975 . . . . 5.08 108.766 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 18.5 t70 75.28 -58.72 0.56 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.515 -1.22 . . . . 3.99 110.297 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.19 119.45 21.87 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.816 -0.629 . . . . 1.9 110.283 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.485 ' HG3' ' HA ' ' A' ' 869' ' ' ILE . 11.0 ptp -111.9 122.07 46.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.526 0.679 . . . . 1.93 110.213 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.741 HG23 ' HB ' ' A' ' 871' ' ' ILE . 4.6 mm -107.86 138.76 32.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.903 -1.044 . . . . 0.47 109.506 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 830' ' ' VAL . 39.0 tp -95.14 108.79 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.077 0.465 . . . . 1.37 110.672 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.411 HG12 ' HG ' ' A' ' 840' ' ' LEU . 0.1 OUTLIER -98.63 95.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.505 -0.771 . . . . 1.06 110.009 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.853 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -104.16 142.13 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.472 -0.785 . . . . 1.07 109.886 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.1 OUTLIER -150.77 151.98 33.16 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.28 -0.267 . . . . 1.3 110.28 176.176 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.41 -17.44 20.6 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.864 0.364 . . . . 2.03 111.661 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.06 88.06 44.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 122.302 -0.249 . . . . 2.12 110.431 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -25.27 -45.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 1 C-N-CA 126.51 4.806 . . . . 1.12 117.538 -166.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -30.43 41.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 CA-C-O 120.87 0.367 . . . . 2.26 111.585 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -79.34 -33.47 43.01 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 110.268 -0.271 . . . . 1.83 110.268 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.1 ttp180 -57.43 -40.69 78.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.17 0.51 . . . . 2.78 110.37 171.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -58.79 -46.6 87.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 2.75 110.447 178.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.559 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -72.89 -37.34 67.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 1.14 111.164 -177.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.411 ' HG ' HG12 ' A' ' 829' ' ' VAL . 20.9 tp -65.81 -41.82 91.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.654 -0.703 . . . . 1.43 110.674 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.96 62.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.556 . . . . 0.6 110.732 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.22 -46.72 69.78 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.673 -0.491 . . . . 1.34 109.673 173.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.658 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.2 OUTLIER -60.02 -44.43 94.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 1.85 110.314 176.552 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.74 -41.81 99.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 1.24 110.74 178.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -64.38 -29.74 75.91 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.52 112.278 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 16.4 m -70.08 -29.69 66.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.957 0.408 . . . . 0.7 110.151 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.602 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -69.16 -28.99 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 1.56 110.129 175.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 95.99 0.67 61.8 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.797 -0.638 . . . . 0.62 112.662 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -93.76 165.15 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.762 0.315 . . . . 1.22 110.908 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.548 ' HB2' ' HB3' ' A' ' 823' ' ' ASP . 4.1 tp-100 -68.27 120.23 14.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.554 . . . . 2.38 110.171 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 109.84 21.91 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.237 -0.438 . . . . 0.94 110.523 -177.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.418 ' O ' HD12 ' A' ' 828' ' ' LEU . 4.2 mptt -98.09 110.67 23.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.499 -0.556 . . . . 1.44 109.499 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.9 133.43 37.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.62 112.202 -173.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.853 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -139.1 179.1 6.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.42 -0.809 . . . . 0.47 109.077 175.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -140.53 75.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.047 -0.661 . . . . 1.9 112.388 -169.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.721 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 2.3 t70 164.22 -176.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.077 0.86 . . . . 1.45 109.946 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.95 ' HA3' HD22 ' A' ' 886' ' ' LEU . . . -97.28 -41.42 3.46 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.407 -1.077 . . . . 0.58 110.407 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.72 -30.98 30.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.837 0.351 . . . . 0.95 110.244 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.721 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -60.5 -32.34 71.35 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.84 110.404 179.284 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.532 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -58.99 -40.74 85.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.555 -0.748 . . . . 0.51 110.869 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.764 HD11 HD23 ' A' ' 893' ' ' LEU . 5.3 tp -75.04 -37.03 61.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.258 -0.428 . . . . 1.85 110.601 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.41 -48.2 76.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.163 0.506 . . . . 1.72 110.76 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.92 -30.46 50.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.491 . . . . 0.89 110.243 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 897' ' ' LEU . 0.8 OUTLIER -65.63 -32.79 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 1.66 110.489 173.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 3.1 m -75.46 -15.73 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.018 0.437 . . . . 0.82 110.311 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -45.95 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.619 . . . . 3.46 112.53 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.34 -176.89 3.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 1.86 111.52 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.49 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 3.12 111.428 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.548 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.8 mp -79.17 149.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.195 -0.298 . . . . 1.06 110.195 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.79 -45.33 5.5 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.911 0.337 . . . . 1.64 111.911 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.741 ' HB ' HG23 ' A' ' 827' ' ' ILE . 17.1 mm -122.4 135.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.023 -0.362 . . . . 1.03 110.023 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 828' ' ' LEU . 46.9 t -122.61 120.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.67 111.561 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -129.93 115.9 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 0.87 109.656 175.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 132.27 54.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.569 0.223 . . . . 0.73 110.63 -176.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.75 ' HA ' HG12 ' A' ' 902' ' ' VAL . 52.7 t0 -101.46 126.81 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.665 -0.698 . . . . 1.34 110.952 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.582 ' HB ' HG22 ' A' ' 903' ' ' THR . 14.9 t -126.63 121.26 58.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.143 -0.48 . . . . 1.29 110.575 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.12 -38.98 7.9 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.817 -0.438 . . . . 2.55 109.817 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.777 ' HG2' ' HB2' ' A' ' 881' ' ' MET . 4.3 tpp -71.13 111.33 9.61 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.43 -0.804 . . . . 3.66 110.499 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.526 ' HB3' ' O ' ' A' ' 905' ' ' ASN . 11.7 Cg_endo -55.95 -54.24 4.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.719 2.946 . . . . 3.48 114.35 -171.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -101.63 16.1 26.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.666 0.27 . . . . 4.87 111.514 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.777 ' HB2' ' HG2' ' A' ' 878' ' ' MET . 1.6 tpt -100.75 82.46 2.43 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.666 -0.414 . . . . 5.58 110.889 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.502 ' O ' HD23 ' A' ' 886' ' ' LEU . 0.5 OUTLIER 64.43 17.78 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.276 -0.874 . . . . 4.99 112.394 174.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -72.01 59.43 1.41 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 121.423 -0.418 . . . . 3.04 112.526 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.862 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.2 p90 171.87 -65.6 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.655 1.182 . . . . 2.84 109.729 -174.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.512 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.15 -25.86 65.83 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.048 -0.978 . . . . 3.36 111.731 -168.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.95 HD22 ' HA3' ' A' ' 857' ' ' GLY . 3.6 pp -65.64 -28.64 69.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.376 -0.972 . . . . 2.34 108.376 -176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.703 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 4.0 m -73.75 -36.09 65.1 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 113.987 -1.46 . . . . 1.28 109.227 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.589 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 1.4 tm0? -62.85 -48.48 78.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.333 -0.849 . . . . 2.17 110.257 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -59.85 -33.99 72.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.695 -0.684 . . . . 2.36 110.808 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.685 ' HA ' HD13 ' A' ' 861' ' ' LEU . 10.3 mt -61.19 -50.58 79.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.062 -0.517 . . . . 1.71 110.678 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -73.38 -23.39 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.069 0.462 . . . . 2.24 111.157 -178.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.6 -48.54 38.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 2.62 110.431 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.764 HD23 HD11 ' A' ' 861' ' ' LEU . 39.5 tp -73.34 -66.36 0.7 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 1.91 110.626 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 163.34 99.6 0.14 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.409 -0.9 . . . . 1.12 112.329 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.3 pt? -92.03 168.32 11.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.058 0.456 . . . . 2.89 110.595 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' ' 897' ' ' LEU . 20.8 m -157.73 -26.71 0.08 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 2.49 110.052 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 864' ' ' LEU . 0.6 OUTLIER -100.79 160.54 26.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.589 -0.732 . . . . 1.4 110.221 -174.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.99 118.04 5.45 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.305 2.003 . . . . 0.73 110.282 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.839 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 39.0 t -96.86 106.18 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.64 110.478 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.0 OUTLIER -96.37 107.65 20.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.568 -0.742 . . . . 0.64 109.767 176.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.78 96.8 2.19 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.501 -0.772 . . . . 0.48 112.273 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 1.024 HG23 ' HB2' ' A' ' 923' ' ' LEU . 0.4 OUTLIER -81.38 119.17 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.317 -0.994 . . . . 1.04 108.317 174.11 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.582 HG22 ' HB ' ' A' ' 876' ' ' VAL . 2.1 p -143.11 163.42 32.9 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.801 -0.562 . . . . 0.89 111.955 -169.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -145.13 139.57 27.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.92 -0.582 . . . . 1.19 110.747 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 879' ' ' PRO . 5.9 t-20 67.28 29.07 7.78 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.219 0.822 . . . . 2.7 113.219 169.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.932 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -93.86 -9.3 37.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.584 -0.446 . . . . 2.81 110.944 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 0.4 OUTLIER 77.32 -44.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.643 0.777 . . . . 3.93 112.187 173.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -140.75 56.81 1.57 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.969 0.414 . . . . 2.09 110.324 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.932 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 53.4 mp0 -55.42 -49.11 73.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.805 -0.634 . . . . 3.31 111.312 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -33.37 70.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.578 -0.737 . . . . 3.58 110.974 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -38.13 72.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.817 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.862 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 1.2 mp0 -74.42 -29.57 61.56 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.755 -0.778 . . . . 2.65 109.721 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.577 ' HD3' ' SG ' ' A' ' 922' ' ' CYS . 6.4 ttp85 -59.58 -41.53 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.031 -0.531 . . . . 4.05 109.901 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 63.8 m -73.1 -40.26 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 1.65 111.449 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.423 ' HB3' ' OE2' ' A' ' 916' ' ' GLU . 1.3 mm? -70.98 -51.5 25.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.881 0.372 . . . . 1.88 111.739 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.713 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 4.5 mm-40 -77.41 -24.04 50.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.971 0.415 . . . . 3.47 110.49 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.41 51.91 15.86 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.409 1.263 . . . . 1.35 114.409 167.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.604 ' H ' HG22 ' A' ' 887' ' ' THR . . . -141.22 25.67 2.49 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.267 -0.968 . . . . 1.02 112.073 178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.839 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.8 ttt -108.12 -118.8 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.936 0.398 . . . . 2.01 111.5 -172.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.0 t70 168.16 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.945 -1.025 . . . . 1.26 108.448 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.499 ' HB2' HG23 ' A' ' 900' ' ' ILE . 15.3 m -143.82 163.77 32.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.223 -0.899 . . . . 1.26 109.982 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.577 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 35.9 m -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.665 0.269 . . . . 1.13 110.498 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 1.024 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.7 OUTLIER -137.69 -176.22 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.158 -0.474 . . . . 0.69 110.023 179.468 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.0 OUTLIER -112.28 137.98 49.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.678 -0.237 . . . . 0.89 110.532 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.614 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 18.1 tttp -39.73 -50.19 5.45 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 113.622 0.971 . . . . 1.11 113.622 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 15.7 Cg_exo -70.8 67.05 2.37 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.196 1.931 . . . . 1.01 113.078 177.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.94 126.42 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.552 -0.294 . . . . 1.36 110.65 175.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 175.87 7.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.508 -0.315 . . . . 0.92 111.053 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.7 OUTLIER -58.76 -45.85 88.81 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.186 -0.461 . . . . 0.92 111.121 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -44.68 87.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.929 0.395 . . . . 1.85 110.793 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.6 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.93 110.924 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.3 tt -63.26 -34.2 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.485 -0.325 . . . . 1.18 110.614 179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -31.83 70.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.783 -0.19 . . . . 1.9 110.879 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -61.39 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 2.25 110.061 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.48 93.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.921 -0.581 . . . . 0.62 111.889 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -58.34 -65.3 0.67 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.238 -0.437 . . . . 0.86 111.189 -178.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 1.6 m -64.02 -34.0 77.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.606 -0.725 . . . . 0.87 112.146 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -49.89 65.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.068 0.461 . . . . 1.42 110.98 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.472 ' O ' HG22 ' A' ' 943' ' ' VAL . 9.4 m-85 -74.03 -30.67 62.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 1.59 110.924 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.68 87.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 0.61 110.838 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -69.69 -31.02 68.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.415 -0.357 . . . . 1.87 110.375 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.775 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 2.2 mtt85 -66.35 -48.01 71.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 3.11 110.808 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 939' ' ' TYR . 13.3 m -71.51 -30.26 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.732 0.301 . . . . 0.75 110.256 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -50.44 71.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 3.58 110.947 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.775 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.4 OUTLIER -70.22 -35.41 73.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.927 -0.309 . . . . 2.78 111.003 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.8 m -69.76 -20.89 63.48 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.846 0.355 . . . . 1.34 111.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -20.21 19.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.94 0.4 . . . . 3.53 110.437 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.9 -50.17 69.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.403 -0.817 . . . . 2.64 111.635 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.405 -0.807 . . . . 5.09 110.316 -179.425 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.806 -0.442 . . . . 7.01 109.806 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . 72.58 132.66 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.932 0.77 . . . . 5.35 111.164 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 3.5 p -105.04 129.66 57.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.068 -0.515 . . . . 5.29 110.608 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 1.6 m -123.42 71.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.181 0.515 . . . . 4.72 110.563 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.05 123.64 32.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 4.74 110.047 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -115.89 -46.03 2.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.296 -0.411 . . . . 4.86 110.414 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 4.3 t70 169.4 -44.64 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.408 -0.814 . . . . 5.08 109.848 -171.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 18.7 t70 76.61 -57.85 0.53 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.753 -1.112 . . . . 3.99 111.95 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.95 119.23 12.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.193 0.52 . . . . 1.9 111.513 -175.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.456 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.4 OUTLIER -109.75 121.5 45.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 1.93 110.212 179.041 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 3.3 mm -114.52 141.12 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.979 -0.555 . . . . 0.47 109.716 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.421 HD23 HG13 ' A' ' 872' ' ' VAL . 8.4 tp -104.81 112.45 25.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.975 0.416 . . . . 1.37 110.787 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 1.5 m -98.43 107.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.597 -0.728 . . . . 1.06 110.321 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.885 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 27.1 t -105.19 142.72 17.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.621 -0.718 . . . . 1.07 109.825 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.573 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -158.57 139.88 13.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.102 0.251 . . . . 1.3 110.346 173.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -89.33 -6.9 56.31 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.485 0.55 . . . . 2.03 112.485 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' A' ' 831' ' ' ASP . 3.6 t-80 -114.92 93.76 35.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 O-C-N 121.986 -0.446 . . . . 2.12 110.853 -176.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -32.61 -50.73 0.37 Allowed 'Trans proline' 0 N--CA 1.482 0.805 0 C-N-CA 125.068 3.845 . . . . 1.12 116.241 -168.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.402 ' H ' HG22 ' A' ' 835' ' ' ILE . 0.0 OUTLIER -58.0 -40.01 74.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.377 0.608 . . . . 2.26 111.079 -178.093 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.503 ' CG ' ' HE3' ' A' ' 925' ' ' LYS . 12.0 m120 -73.23 -31.22 64.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.637 -0.711 . . . . 1.83 110.324 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.18 -51.03 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.392 . . . . 2.78 110.718 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.55 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.01 -48.07 76.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 2.75 110.451 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.55 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.61 -30.83 61.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.14 111.739 -173.364 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.62 -44.26 67.6 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 1.43 109.976 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.92 68.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.6 110.223 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.25 -53.44 52.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 1.34 109.818 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.645 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.77 -41.95 87.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.59 -0.732 . . . . 1.85 110.745 177.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.56 -42.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.736 -0.666 . . . . 1.24 110.473 178.044 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.12 -35.85 89.42 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.743 -0.662 . . . . 0.52 112.447 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.5 m -67.34 -28.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.67 0.271 . . . . 0.7 111.025 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.59 ' HG ' HD23 ' A' ' 936' ' ' LEU . 0.7 OUTLIER -65.83 -36.21 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.163 0.506 . . . . 1.56 110.363 176.062 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.62 5.04 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.78 -0.724 . . . . 0.62 112.56 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -123.13 155.01 37.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.319 -0.252 . . . . 1.22 110.319 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.73 132.19 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.622 0.249 . . . . 2.38 110.593 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.0 100.3 9.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.173 -0.467 . . . . 0.94 111.11 -176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -89.29 120.89 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.074 -0.713 . . . . 1.44 109.074 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.66 144.14 26.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.5 0.555 . . . . 0.62 112.5 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.864 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -153.38 163.07 40.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.581 -0.736 . . . . 0.47 109.256 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 4.7 p30 -142.46 72.87 1.39 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.025 -0.67 . . . . 1.9 112.442 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 9.0 t0 163.92 156.17 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.102 -0.954 . . . . 1.45 109.626 172.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.42 -46.81 74.9 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.386 -0.912 . . . . 0.58 111.337 177.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -67.24 -30.76 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.626 0.25 . . . . 0.95 111.19 176.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -62.22 -35.97 80.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.979 0.418 . . . . 0.84 110.407 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -59.73 -48.19 82.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.692 -0.685 . . . . 0.51 111.686 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 0.9 OUTLIER -74.68 -29.6 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 1.85 110.553 179.615 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . 0.453 ' O ' ' HE2' ' A' ' 866' ' ' LYS . 8.8 t-20 -60.92 -52.72 63.85 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.139 -0.482 . . . . 1.72 110.85 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.84 -30.95 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.443 . . . . 0.89 110.302 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -61.49 -35.28 77.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.839 0.352 . . . . 1.66 111.0 176.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -29.8 66.3 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.151 0.5 . . . . 0.82 110.058 176.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 862' ' ' ASN . 0.2 OUTLIER -72.27 -53.63 11.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.873 -0.603 . . . . 3.46 111.099 178.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -144.26 156.93 44.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.117 -0.492 . . . . 1.86 110.202 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 137.32 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.257 0.551 . . . . 3.12 111.308 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.72 146.4 30.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.37 -0.974 . . . . 1.06 108.37 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -58.32 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 1.64 111.285 -176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.37 137.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 1.03 109.902 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 897' ' ' LEU . 11.3 t -111.79 123.19 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.696 0.284 . . . . 0.67 110.737 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.804 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -119.97 109.92 16.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.439 -0.578 . . . . 0.87 109.439 175.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.885 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -111.91 117.0 31.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.753 0.311 . . . . 0.73 110.987 -177.599 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 14.1 t0 -85.72 106.1 16.73 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.557 0.694 . . . . 1.34 110.481 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.13 77.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.642 -1.163 . . . . 1.29 109.428 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 879' ' ' PRO . 2.8 p-10 -83.65 9.53 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.578 0.704 . . . . 2.55 109.566 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 43.5 tpp -99.92 101.42 14.0 Favored Pre-proline 0 N--CA 1.443 -0.785 0 CA-C-N 114.565 -1.198 . . . . 3.66 109.938 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.546 ' HB3' ' HA ' ' A' ' 906' ' ' ALA . 70.3 Cg_endo -76.54 -4.86 15.51 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.535 2.157 . . . . 3.48 111.874 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.51 111.21 15.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.468 -0.787 . . . . 4.87 110.497 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 74.33 -90.32 0.02 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.455 -0.793 . . . . 5.58 112.532 173.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.86 69.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.478 0.547 . . . . 4.99 112.478 -167.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -98.8 -26.14 9.27 Favored Glycine 0 C--O 1.227 -0.319 0 C-N-CA 120.559 -0.829 . . . . 3.04 111.885 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.793 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 6.2 p90 -114.85 -40.59 3.5 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 122.239 1.019 . . . . 2.84 110.963 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.08 -26.63 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.111 -1.404 . . . . 3.36 110.994 -173.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.701 HD13 ' H ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -66.75 -31.2 71.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.006 -0.543 . . . . 2.34 109.927 -174.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.812 HG22 ' HB2' ' A' ' 916' ' ' GLU . 0.4 OUTLIER -77.69 -27.58 50.77 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.735 -0.839 . . . . 1.28 108.735 177.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.691 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 4.5 tm0? -62.32 -45.06 94.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.324 0.583 . . . . 2.17 109.748 170.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -28.84 70.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.603 -0.726 . . . . 2.36 110.609 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 887' ' ' THR . 97.3 mt -68.83 -39.88 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.44 -0.345 . . . . 1.71 110.455 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.45 60.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.937 0.398 . . . . 2.24 110.304 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -71.73 -41.29 68.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.287 0.565 . . . . 2.62 110.018 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -40.65 84.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.449 -0.796 . . . . 1.91 110.584 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 99.97 75.84 1.2 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.882 -0.675 . . . . 1.12 111.523 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 895' ' ' LEU . 0.5 OUTLIER -61.4 131.97 51.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.034 0.445 . . . . 2.89 111.529 -177.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.31 12.79 27.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.321 0.581 . . . . 2.49 109.95 176.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 864' ' ' LEU . 0.5 OUTLIER -156.4 155.12 28.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.331 -0.849 . . . . 1.4 109.7 -174.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.429 ' HB2' ' HE1' ' A' ' 939' ' ' TYR . 17.3 Cg_exo -68.04 136.93 39.48 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 122.893 2.395 . . . . 0.73 112.786 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.864 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 20.7 t -112.44 125.23 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.865 -0.607 . . . . 0.64 110.624 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.804 HD12 HD23 ' A' ' 873' ' ' LEU . 0.3 OUTLIER -108.67 112.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 109.68 -0.489 . . . . 0.64 109.68 176.053 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . 0.418 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -90.87 112.36 4.1 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.776 -0.726 . . . . 0.48 112.214 -177.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -84.44 109.48 17.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.997 -0.742 . . . . 1.04 108.997 178.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 66.8 p -116.23 164.14 14.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.12 0.486 . . . . 0.89 111.577 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -143.69 102.9 4.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.868 -0.605 . . . . 1.19 110.732 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.4 t30 47.22 60.82 3.21 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.948 0.78 . . . . 2.7 112.688 173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -97.73 45.31 1.03 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.993 0.425 . . . . 2.81 110.057 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 3.3 mt 67.53 -77.54 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.21 -0.905 . . . . 3.93 111.325 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -142.01 52.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.226 0.536 . . . . 2.09 110.054 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 906' ' ' ALA . 14.3 pm0 -63.69 -27.5 69.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.668 -0.696 . . . . 3.31 112.013 -174.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 909' ' ' GLU . 4.3 tp10 -62.01 -46.16 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.109 0.481 . . . . 3.58 109.74 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -38.01 77.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.005 -0.543 . . . . 2.29 110.739 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.793 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -70.47 -31.18 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.519 -0.472 . . . . 2.65 110.317 -178.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.441 ' HG3' ' SD ' ' A' ' 919' ' ' MET . 3.3 tmm_? -62.24 -41.56 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.777 -0.453 . . . . 4.05 109.777 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 37.9 m -65.92 -31.56 72.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.798 -0.637 . . . . 1.65 110.51 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.28 -52.16 17.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.255 -0.43 . . . . 1.88 111.5 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.812 ' HB2' HG22 ' A' ' 887' ' ' THR . 13.4 mm-40 -72.43 -24.58 61.25 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.364 -0.38 . . . . 3.47 111.524 -175.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 6.4 m 50.85 52.23 15.37 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.147 1.166 . . . . 1.35 114.147 168.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.632 ' HA3' ' O ' ' A' ' 887' ' ' THR . . . -140.32 25.93 2.59 Favored Glycine 0 C--N 1.319 -0.41 0 C-N-CA 120.359 -0.924 . . . . 1.02 112.769 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.864 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.4 ttm -117.0 -117.98 0.32 Allowed 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.717 -0.284 . . . . 2.01 111.096 -176.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.1 t70 171.7 -52.95 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.544 -0.91 . . . . 1.26 108.544 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 900' ' ' ILE . 14.6 m -145.07 163.39 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.091 -0.959 . . . . 1.26 110.173 177.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.1 145.47 43.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.261 -0.427 . . . . 1.13 110.285 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 71.5 mt -130.52 178.07 6.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.123 -0.489 . . . . 0.69 109.976 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.7 OUTLIER -115.33 136.4 53.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.489 -0.323 . . . . 0.89 110.263 178.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 836' ' ' ASN . 15.5 tttp -46.21 -50.29 38.57 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 112.898 0.703 . . . . 1.11 112.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.6 Cg_endo -72.64 63.6 3.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 121.891 1.727 . . . . 1.01 112.914 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 924' ' ' SER . 0.9 OUTLIER -85.26 134.55 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.2 -0.454 . . . . 1.36 110.397 178.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 171.36 8.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.464 . . . . 0.92 111.217 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.645 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.2 tm? -61.03 -47.51 86.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.29 -0.414 . . . . 0.92 111.401 -177.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.97 -34.72 66.64 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.672 -0.411 . . . . 1.85 110.652 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.85 -47.2 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.93 110.421 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 929' ' ' LEU . 3.9 tt -64.96 -28.23 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-O 120.78 0.324 . . . . 1.18 110.572 177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -48.36 73.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 1.9 111.119 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.465 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -63.27 -49.63 73.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 2.25 110.664 -178.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.2 m -62.65 -44.5 96.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.62 111.63 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.59 HD23 ' HG ' ' A' ' 847' ' ' LEU . 9.4 tp -69.25 -38.53 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.671 -0.24 . . . . 0.86 111.365 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 94.7 m -66.82 -44.74 80.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.68 0.276 . . . . 0.87 110.774 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -45.27 90.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.119 0.485 . . . . 1.42 110.523 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.429 ' HE1' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.53 -46.03 81.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.885 -0.598 . . . . 1.59 111.245 -178.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.97 88.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.61 111.183 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.1 OUTLIER -64.82 -48.68 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.145 -0.479 . . . . 1.87 110.282 178.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 9.2 ptt85 -69.11 -34.02 74.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.068 -0.514 . . . . 3.11 111.766 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 33.4 m -75.79 -32.5 24.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.932 0.396 . . . . 0.75 110.404 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -50.33 72.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.097 -0.501 . . . . 3.58 109.948 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -77.26 -15.67 59.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 2.78 111.417 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 4.0 m -64.81 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.24 -0.184 . . . . 1.34 110.934 176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -42.09 9.89 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.588 -0.445 . . . . 3.53 110.949 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 945' ' ' LYS . 9.3 t0 -114.33 96.68 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.811 -0.44 . . . . 2.64 109.811 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.451 -0.785 . . . . 5.09 110.784 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 110.014 -0.365 . . . . 7.01 110.014 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -106.67 130.69 54.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.399 . . . . 5.35 110.914 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.51 86.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 5.29 110.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.93 51.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.463 0.542 . . . . 4.72 112.463 -175.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.52 117.31 33.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.962 -0.755 . . . . 4.74 108.962 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.8 -45.43 4.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.852 0.686 . . . . 4.86 112.852 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -162.61 -69.24 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.417 -0.513 . . . . 5.08 112.099 -167.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 823' ' ' ASP . 15.4 t70 76.85 -55.78 0.56 Allowed 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.37 1.044 . . . . 3.99 110.925 -173.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.2 ttt -144.5 137.73 27.1 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.091 0.472 . . . . 1.9 111.555 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 869' ' ' ILE . 11.4 ttp -118.28 123.71 46.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.723 -0.671 . . . . 1.93 110.142 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.633 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.7 mm -118.08 146.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 0.47 110.727 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.513 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.6 OUTLIER -100.29 115.7 30.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 1.37 110.675 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.515 HG13 HD22 ' A' ' 844' ' ' LEU . 2.2 m -102.18 106.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.492 0.663 . . . . 1.06 109.783 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.873 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 15.5 t -120.48 133.5 66.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.836 -0.62 . . . . 1.07 111.697 -173.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -151.77 131.45 13.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.472 -0.936 . . . . 1.3 108.472 167.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -36.51 69.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.098 0.475 . . . . 2.03 110.372 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.34 163.33 20.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 2.12 109.933 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.76 -20.71 7.61 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 121.822 1.681 . . . . 1.12 113.663 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -70.27 -49.13 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 112.231 0.456 . . . . 2.26 112.231 -172.462 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.469 ' HB2' ' HE3' ' A' ' 925' ' ' LYS . 5.1 t30 -83.47 -21.88 32.74 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.626 -0.509 . . . . 1.83 109.626 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -63.73 -50.98 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.843 -0.617 . . . . 2.78 110.4 174.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -65.6 -33.86 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 2.75 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -51.49 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.422 -0.354 . . . . 1.14 111.229 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -68.92 -30.92 69.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 1.43 111.074 -177.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -68.33 -33.9 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.237 -0.283 . . . . 0.6 110.237 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -70.6 -37.09 73.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 1.34 109.857 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.668 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.4 OUTLIER -59.55 -46.52 88.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.51 -0.768 . . . . 1.85 110.1 175.109 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.633 HD21 ' HB ' ' A' ' 827' ' ' ILE . 22.4 tp -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.24 110.657 176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.89 -33.34 86.79 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.374 -0.69 . . . . 0.52 111.374 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 2.0 m -70.1 -30.74 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.921 -0.399 . . . . 0.7 109.921 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -35.15 79.41 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.991 -0.55 . . . . 1.56 110.011 174.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.89 24.71 40.56 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.715 -0.675 . . . . 0.62 112.07 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -108.32 170.47 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.254 . . . . 1.22 110.964 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 5.3 tp-100 -66.23 122.75 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 2.38 110.492 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.4 m -102.91 108.08 19.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.833 0.349 . . . . 0.94 111.065 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.483 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -96.73 116.47 29.19 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.377 -0.601 . . . . 1.44 109.377 175.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 137.55 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.378 0.51 . . . . 0.62 112.378 -173.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.49 166.66 29.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 0.47 109.057 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.2 p-10 -143.8 72.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.233 -0.587 . . . . 1.9 112.049 -178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.968 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 42.3 t0 163.45 156.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 114.762 -1.108 . . . . 1.45 109.022 173.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.604 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -68.5 -43.62 76.55 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.366 -0.921 . . . . 0.58 111.275 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.751 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -73.63 -28.98 25.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.765 0.317 . . . . 0.95 110.552 178.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.968 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 12.4 t0 -53.85 -39.71 65.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.928 0.394 . . . . 0.84 110.57 174.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -60.3 -34.72 74.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.797 -0.638 . . . . 0.51 111.015 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 858' ' ' VAL . 6.6 mp -66.98 -45.98 76.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.067 0.46 . . . . 1.85 110.38 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.09 -46.51 83.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.634 -0.712 . . . . 1.72 110.035 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.509 HG11 HD21 ' A' ' 828' ' ' LEU . 2.2 t -62.33 -37.59 79.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 114.967 -1.015 . . . . 0.89 110.501 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -68.36 -36.31 79.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 1.66 111.157 178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 18.6 m -67.33 -27.84 67.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.82 111.118 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 0.2 OUTLIER -88.56 -54.0 4.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 3.46 110.876 177.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 140.36 53.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.057 -0.52 . . . . 1.86 110.268 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -88.82 129.74 35.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 3.12 110.541 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 826' ' ' MET . 1.0 OUTLIER -121.64 144.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.33 -0.618 . . . . 1.06 109.33 -179.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -63.68 -60.07 3.79 Favored 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.295 0.372 . . . . 1.64 111.242 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 140.35 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 1.03 110.288 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.484 HG23 HD11 ' A' ' 897' ' ' LEU . 55.9 t -114.75 124.63 71.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 121.06 -0.256 . . . . 0.67 111.39 -176.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.48 109.53 19.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.401 -0.592 . . . . 0.87 109.401 173.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.873 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -118.98 118.57 31.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.753 0.311 . . . . 0.73 111.364 -176.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -93.09 118.64 31.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.944 -0.571 . . . . 1.34 110.421 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 8.9 t -95.48 106.33 18.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.501 -0.772 . . . . 1.29 110.597 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -98.37 -8.61 26.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.827 -0.624 . . . . 2.55 109.623 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 8.4 tpt -132.02 101.09 15.33 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.476 -0.784 . . . . 3.66 110.782 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.26 92.15 0.47 Allowed 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.743 2.296 . . . . 3.48 111.516 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 881' ' ' MET . 14.3 p30 -78.97 34.71 0.24 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.121 -0.49 . . . . 4.87 111.753 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.568 ' HB2' ' O ' ' A' ' 880' ' ' ASN . 0.0 OUTLIER 159.78 -64.99 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.741 1.216 . . . . 5.58 108.031 -178.092 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.54 ' HB3' ' HD1' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -168.98 175.41 5.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.138 -1.392 . . . . 4.99 107.695 175.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -78.44 55.99 4.09 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.698 -0.763 . . . . 3.04 112.63 -176.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 1.055 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 5.2 p90 -161.87 -42.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 2.84 112.603 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.52 ' C ' ' HD2' ' A' ' 885' ' ' ARG . 0.6 OUTLIER -55.51 -29.62 59.19 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 113.255 0.835 . . . . 3.36 113.255 -156.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.604 HD13 ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -70.29 -33.32 71.41 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.884 1.326 . . . . 2.34 108.359 -169.053 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -75.82 -26.67 57.43 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 113.237 -1.801 . . . . 1.28 109.984 177.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.09 -35.53 80.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.515 -0.55 . . . . 2.17 109.515 175.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.49 99.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.659 -0.701 . . . . 2.36 109.716 173.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 895' ' ' LEU . 97.3 mt -55.71 -47.37 79.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.211 -0.45 . . . . 1.71 110.656 173.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -59.53 -43.32 93.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 2.24 111.338 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 6.1 mm100 -66.78 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 2.62 111.026 -178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.454 ' HB3' ' HG ' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -73.56 -37.07 65.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 1.91 110.15 176.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.12 27.65 15.48 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.957 -0.639 . . . . 1.12 112.663 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 890' ' ' ILE . 0.1 OUTLIER -83.52 115.69 22.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.691 0.281 . . . . 2.89 110.488 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -81.65 51.44 1.69 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.193 0.997 . . . . 2.49 110.534 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.484 HD11 HG23 ' A' ' 872' ' ' VAL . 2.6 tp -96.99 130.49 29.83 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.33 -0.85 . . . . 1.4 110.426 -176.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD2' HD12 ' A' ' 897' ' ' LEU . 51.6 Cg_endo -71.34 106.87 2.02 Favored 'Trans proline' 0 C--O 1.242 0.701 0 C-N-CA 122.748 2.299 . . . . 0.73 112.107 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.6 t -106.66 116.56 50.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.52 0.676 . . . . 0.64 111.442 -177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 923' ' ' LEU . 53.6 mt -88.91 98.28 7.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.175 -0.921 . . . . 0.64 108.552 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.41 7.07 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.599 -0.81 . . . . 0.48 113.414 -171.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.474 HG22 HD12 ' A' ' 923' ' ' LEU . 0.1 OUTLIER -101.99 146.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.252 -1.018 . . . . 1.04 108.252 173.327 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 143.77 31.06 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.398 -0.521 . . . . 0.89 111.749 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -99.61 105.5 17.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.097 -0.501 . . . . 1.19 110.948 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 51.75 51.22 17.06 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.749 0.656 . . . . 2.7 112.133 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -97.64 97.54 9.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 2.81 109.663 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.38 144.91 44.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.43 -0.35 . . . . 3.93 111.249 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.64 32.23 16.39 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.746 -0.661 . . . . 2.09 111.793 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.4 OUTLIER -72.43 -18.1 61.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.123 -0.49 . . . . 3.31 111.342 -178.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -52.68 64.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 3.58 110.121 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.403 ' HE2' HD12 ' A' ' 915' ' ' LEU . 2.9 tttt -67.01 -37.48 84.26 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.01 -0.541 . . . . 2.29 110.625 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 1.055 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.6 mp0 -67.84 -29.33 68.44 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.239 -0.584 . . . . 2.65 109.981 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.482 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -65.41 -38.01 88.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 4.05 111.002 177.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.44 -32.94 73.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.638 -0.504 . . . . 1.65 109.638 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -71.03 -48.26 53.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.708 -0.678 . . . . 1.88 112.15 -179.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 1.031 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -75.7 -45.51 36.4 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 119.528 -0.869 . . . . 3.47 109.749 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.6 m 53.18 51.17 16.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.479 -0.782 . . . . 1.35 112.917 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.515 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -136.4 -12.35 1.08 Allowed Glycine 0 C--N 1.32 -0.356 0 C-N-CA 119.817 -1.182 . . . . 1.02 113.181 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 mtt -83.34 -113.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.79 0.295 . . . . 2.01 110.93 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.668 ' HB2' ' O ' ' A' ' 919' ' ' MET . 3.6 t70 156.77 -57.65 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.629 1.171 . . . . 1.26 109.029 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.482 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.3 OUTLIER -102.69 147.83 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.472 -0.785 . . . . 1.26 111.095 -178.508 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 117.92 22.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.496 . . . . 1.13 110.446 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.684 HD11 HG22 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -135.23 172.96 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.269 -0.423 . . . . 0.69 109.968 178.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.83 155.75 23.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.534 -0.303 . . . . 0.89 110.36 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 836' ' ' ASN . 1.5 tttp -44.84 -48.93 29.21 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.038 0.755 . . . . 1.11 113.038 -177.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 34.9 Cg_endo -65.4 67.03 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.193 1.929 . . . . 1.01 112.856 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.26 164.46 2.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.676 . . . . 1.36 110.348 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.8 169.44 17.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.635 -0.257 . . . . 0.92 110.523 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.668 HD23 ' HG2' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -61.33 -47.2 87.02 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 122.27 0.228 . . . . 0.92 111.423 -176.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -65.91 -42.21 90.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.039 0.447 . . . . 1.85 109.964 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.92 -47.45 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.713 -0.676 . . . . 0.93 111.0 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 0.8 OUTLIER -68.13 -31.86 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 1.18 110.772 -178.411 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 2.9 tmmt? -67.99 -36.29 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 1.9 110.212 177.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -61.53 -55.26 32.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.325 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.06 96.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.646 -0.252 . . . . 0.62 111.199 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.0 OUTLIER -55.06 -56.5 19.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.033 0.444 . . . . 0.86 110.895 178.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.5 m -70.05 -38.77 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.673 -0.694 . . . . 0.87 112.069 -174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -40.48 89.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 1.42 110.963 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -76.56 -25.79 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.547 -0.297 . . . . 1.59 110.353 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.06 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.61 110.339 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -65.9 -32.55 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 1.87 109.904 176.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.3 OUTLIER -68.99 -47.6 65.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.936 -0.575 . . . . 3.11 110.727 -178.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 947' ' ' ARG . 28.8 m -70.28 -30.1 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.91 -0.316 . . . . 0.75 110.262 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 944' ' ' ARG . 0.0 OUTLIER -62.28 -47.18 85.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 3.58 110.196 174.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 12.7 mttp -62.44 -33.69 75.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.232 0.539 . . . . 2.78 110.501 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.3 m -68.27 -34.19 75.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.803 -0.635 . . . . 1.34 110.989 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 943' ' ' VAL . 25.0 mtm180 -76.71 -56.24 4.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.013 0.435 . . . . 3.53 110.452 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.63 134.32 46.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.769 -0.65 . . . . 2.64 110.194 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.612 -0.709 . . . . 5.09 110.817 -176.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 109.899 -0.408 . . . . 7.01 109.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -94.83 135.07 36.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.72 0.295 . . . . 5.35 110.729 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 96.5 t -91.33 107.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.864 -0.421 . . . . 5.29 109.864 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.44 66.39 9.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.343 0.592 . . . . 4.72 111.23 -176.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -111.35 164.21 13.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.037 -0.529 . . . . 4.74 109.674 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -147.98 -66.41 0.25 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.119 -0.491 . . . . 4.86 109.799 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 1.029 ' HB2' ' HG3' ' A' ' 850' ' ' GLN . 0.4 OUTLIER -173.55 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 5.08 110.207 -177.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.5 t70 75.83 -53.03 0.63 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.669 0.788 . . . . 3.99 112.398 170.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 5.7 ttm -137.37 112.71 9.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.865 0.364 . . . . 1.9 111.063 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 826' ' ' MET . 1.3 ptp -95.94 109.6 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.637 -0.711 . . . . 1.93 110.438 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.2 mm -106.1 145.59 13.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.615 -0.72 . . . . 0.47 110.326 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.909 ' HB2' HG21 ' A' ' 869' ' ' ILE . 12.4 tp -100.99 107.49 18.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.89 0.376 . . . . 1.37 110.756 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 853' ' ' THR . 2.9 m -94.08 101.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.493 0.664 . . . . 1.06 109.756 177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 3.0 t -110.65 143.25 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.736 -0.666 . . . . 1.07 110.788 -176.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -153.06 147.09 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.827 -0.805 . . . . 1.3 108.827 175.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.67 -20.9 66.57 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.443 0.465 . . . . 2.03 111.684 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.57 ' HB2' ' CD ' ' A' ' 834' ' ' PRO . 0.1 OUTLIER -131.54 -177.27 0.66 Allowed Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 109.763 -0.458 . . . . 2.12 109.763 175.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.57 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 4.6 Cg_exo -82.08 -28.44 2.0 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.064 1.843 . . . . 1.12 113.815 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.56 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.4 OUTLIER -62.94 -48.04 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 113.069 0.766 . . . . 2.26 113.069 -170.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -83.01 -22.84 33.51 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.027 -0.669 . . . . 1.83 109.734 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -58.65 -51.8 68.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.595 -0.73 . . . . 2.78 110.145 172.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.1 OUTLIER -69.87 -29.75 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 2.75 110.935 -179.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -45.94 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 1.14 111.146 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -73.43 -32.26 64.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.685 0.279 . . . . 1.43 110.453 -178.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.97 -27.09 63.47 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.148 0.499 . . . . 0.6 109.915 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 18.7 t0 -64.66 -46.33 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.621 -0.718 . . . . 1.34 109.843 175.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.623 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.0 OUTLIER -62.86 -38.45 90.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.444 -0.798 . . . . 1.85 110.716 177.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 851' ' ' CYS . 8.4 tp -65.92 -31.38 72.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 1.24 110.374 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.33 -35.76 92.49 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.911 -0.586 . . . . 0.52 112.063 175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -36.05 79.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 0.7 110.076 174.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.87 -48.72 73.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 1.56 110.337 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.55 36.77 3.43 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.789 -0.641 . . . . 0.62 112.558 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -124.54 158.11 33.73 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.77 -0.253 . . . . 1.22 110.839 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 1.029 ' HG3' ' HB2' ' A' ' 823' ' ' ASP . 0.4 OUTLIER -70.5 125.42 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 2.38 110.941 -174.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.571 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -114.42 117.22 30.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.043 -0.526 . . . . 0.94 110.912 -177.333 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 828' ' ' LEU . 0.0 OUTLIER -102.1 118.62 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.403 -0.592 . . . . 1.44 109.403 174.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.83 112.92 24.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.057 0.456 . . . . 0.62 112.207 -171.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.5 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -117.96 157.56 26.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.47 109.941 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.647 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.1 t-20 -131.43 71.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.48 -0.488 . . . . 1.9 112.062 -172.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 5.9 t70 160.04 162.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.557 1.143 . . . . 1.45 109.344 168.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.03 -40.34 83.9 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.673 -0.971 . . . . 0.58 110.673 173.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.519 HG22 ' OD1' ' A' ' 856' ' ' ASP . 20.4 m -74.01 -29.2 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.95 110.538 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.578 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 12.7 t0 -60.79 -31.29 70.67 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.84 110.862 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.24 85.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.51 110.295 175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 890' ' ' ILE . 9.4 mp -71.14 -38.48 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.217 0.532 . . . . 1.85 110.319 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -50.03 72.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.476 -0.784 . . . . 1.72 110.229 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.456 HG11 HD11 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -67.58 -35.83 74.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.792 -0.64 . . . . 0.89 110.562 -179.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 897' ' ' LEU . 0.5 OUTLIER -63.99 -32.88 74.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.908 0.385 . . . . 1.66 110.731 178.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 71.5 m -68.36 -36.67 79.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.82 110.294 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -69.99 -46.44 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 3.46 110.811 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -144.91 135.7 24.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.231 -0.44 . . . . 1.86 110.341 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -73.95 97.27 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.851 0.358 . . . . 3.12 111.118 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.909 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.8 OUTLIER -77.54 148.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.841 -0.618 . . . . 1.06 109.757 175.458 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.27 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 1.64 111.193 -176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 4.3 mt -124.98 140.91 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.398 . . . . 1.03 110.383 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.734 HG23 HD11 ' A' ' 897' ' ' LEU . 77.9 t -113.99 131.61 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.564 0.221 . . . . 0.67 111.305 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -122.11 98.58 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.002 -0.74 . . . . 0.87 109.002 172.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.904 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -103.39 98.96 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.336 -0.393 . . . . 0.73 111.595 -176.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.696 ' HA ' HG22 ' A' ' 902' ' ' VAL . 44.9 t0 -71.39 117.03 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 1.34 110.374 170.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 119.42 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.193 0.52 . . . . 1.29 110.892 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -86.44 58.34 5.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.914 0.864 . . . . 2.55 108.781 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 2.2 tpp -146.87 85.26 7.12 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.81 -1.086 . . . . 3.66 109.853 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -90.99 -70.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.242 2.628 . . . . 3.48 112.112 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . 0.566 ' O ' ' HB3' ' A' ' 881' ' ' MET . 3.9 t30 -73.95 130.71 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 4.87 110.107 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' A' ' 880' ' ' ASN . 1.3 ttt 86.09 98.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.472 1.107 . . . . 5.58 111.089 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.71 16.91 10.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.844 -1.071 . . . . 4.99 112.529 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -72.22 108.77 2.59 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.958 -0.857 . . . . 3.04 110.958 176.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.792 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 3.6 p90 126.73 -38.73 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.006 1.722 . . . . 2.84 109.127 -169.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.434 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.96 -24.61 66.22 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.671 -1.15 . . . . 3.36 112.738 -161.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -69.97 -37.17 75.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 122.009 0.909 . . . . 2.34 108.68 -171.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.545 ' HB ' ' CG ' ' A' ' 916' ' ' GLU . 21.5 m -71.85 -27.43 62.88 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.407 -1.269 . . . . 1.28 110.521 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.584 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 1.9 tt0 -58.1 -39.25 78.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.527 0.68 . . . . 2.17 109.774 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.27 -36.51 84.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.23 -0.895 . . . . 2.36 110.317 174.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 861' ' ' LEU . 71.5 mt -57.26 -50.53 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.52 -0.309 . . . . 1.71 111.389 177.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -71.02 -28.1 64.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.714 0.292 . . . . 2.24 111.223 -178.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.446 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -74.0 -27.82 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.039 0.447 . . . . 2.62 110.514 178.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 53.2 tp -78.31 -21.99 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.941 -0.572 . . . . 1.91 109.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 77.76 58.67 3.2 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.009 -0.615 . . . . 1.12 112.589 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.5 147.3 23.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.074 -0.343 . . . . 2.89 110.074 176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 2.6 t -111.84 10.2 20.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.379 0.609 . . . . 2.49 110.833 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 872' ' ' VAL . 0.0 OUTLIER -89.0 152.14 47.94 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.824 -0.625 . . . . 1.4 110.424 -177.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 6.8 Cg_exo -74.64 118.87 5.48 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 123.018 2.479 . . . . 0.73 111.934 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.827 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 2.9 t -109.77 129.99 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 121.72 0.771 . . . . 0.64 111.365 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.92 HD12 HD23 ' A' ' 873' ' ' LEU . 0.4 OUTLIER -114.46 134.05 58.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.395 -0.821 . . . . 0.64 108.983 173.362 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -123.86 101.41 0.68 Allowed Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.677 -0.969 . . . . 0.48 110.677 -171.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' A' ' 875' ' ' ASP . 0.4 OUTLIER -87.15 131.49 34.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.763 -0.829 . . . . 1.04 108.763 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 2.6 p -132.43 167.58 19.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.697 0.284 . . . . 0.89 111.033 -172.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -128.9 123.18 31.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 1.19 111.356 -177.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 36.0 t30 57.53 40.71 26.78 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.797 -0.638 . . . . 2.7 111.356 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -94.13 -33.74 13.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.179 -0.464 . . . . 2.81 110.271 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.46 -62.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.388 -0.824 . . . . 3.93 111.285 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . -90.77 55.78 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.45 0.643 . . . . 2.09 110.44 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.8 -35.94 79.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.596 -0.729 . . . . 3.31 110.562 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -26.27 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.482 -0.562 . . . . 3.58 109.482 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.559 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -70.18 -32.17 69.98 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.78 -0.646 . . . . 2.29 110.473 177.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.792 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.8 OUTLIER -67.19 -42.77 83.63 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 119.141 -1.024 . . . . 2.65 108.879 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -52.65 -36.86 57.56 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.368 0.418 . . . . 4.05 111.17 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 69.4 m -76.06 -34.76 59.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.728 0.299 . . . . 1.65 111.182 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 1.2 tp -71.35 -52.94 15.95 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.136 0.421 . . . . 1.88 112.136 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.08 -43.34 24.34 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.6 0.238 . . . . 3.47 110.634 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 14.5 m 53.24 51.54 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.963 0.727 . . . . 1.35 112.963 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -141.83 11.43 2.63 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.051 -1.071 . . . . 1.02 112.3 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.827 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.1 OUTLIER -99.76 -104.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.607 0.241 . . . . 2.01 110.962 -175.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' ' 919' ' ' MET . 41.1 t0 162.03 -55.11 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.634 1.174 . . . . 1.26 108.218 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 900' ' ' ILE . 2.6 m -141.87 152.56 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.627 -0.715 . . . . 1.26 110.781 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 142.89 47.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.348 -0.387 . . . . 1.13 110.489 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 902' ' ' VAL . 1.7 mt -125.38 -175.41 3.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.357 . . . . 0.69 110.069 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 2.3 m -108.23 152.25 24.85 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.945 -0.571 . . . . 0.89 109.482 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.687 ' HB3' ' HD3' ' A' ' 926' ' ' PRO . 15.8 tttp -43.79 -60.96 2.21 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 113.778 1.029 . . . . 1.11 113.778 -173.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 1.8 Cg_endo -83.23 70.78 6.45 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.942 1.761 . . . . 1.01 112.845 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 931' ' ' VAL . 2.1 t -68.73 110.58 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.878 -0.601 . . . . 1.36 110.34 172.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.67 178.72 7.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.606 -0.27 . . . . 0.92 111.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.2 -42.72 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.92 111.562 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -56.05 22.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.585 -0.28 . . . . 1.85 110.861 -177.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . 0.411 ' HB ' ' CG1' ' A' ' 927' ' ' VAL . 0.0 OUTLIER -61.54 -36.44 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.669 -0.241 . . . . 0.93 111.316 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.623 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -64.41 -39.57 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.619 0.247 . . . . 1.18 110.409 179.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -39.18 79.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.277 -0.268 . . . . 1.9 110.277 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -58.88 -52.63 64.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 2.25 110.615 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -69.39 -41.99 75.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.801 -0.636 . . . . 0.62 111.693 -177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -63.7 -47.14 82.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.436 0.16 . . . . 0.86 110.967 -178.241 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 28.6 m -65.79 -43.56 88.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.534 -0.303 . . . . 0.87 111.223 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.3 86.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 1.42 111.132 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -77.67 -34.64 52.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.5 -0.318 . . . . 1.59 111.212 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.56 -46.76 88.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.61 110.671 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.8 OUTLIER -68.36 -33.21 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.339 -0.391 . . . . 1.87 110.308 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -65.06 -48.68 72.94 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 116.448 -0.342 . . . . 3.11 110.868 -179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 20.1 m -67.61 -30.53 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.731 -0.388 . . . . 0.75 110.664 -176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -67.77 -50.85 54.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.395 . . . . 3.58 110.965 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 0.4 OUTLIER -76.01 -25.19 55.48 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.868 0.322 . . . . 2.78 111.868 -175.707 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 7.8 m -82.9 -17.88 42.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.889 0.376 . . . . 1.34 110.403 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -84.21 -58.25 2.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 3.53 110.102 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -173.22 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.074 0.464 . . . . 2.64 111.577 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.414 -0.803 . . . . 5.09 111.594 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.883 0.373 . . . . 7.01 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -157.31 175.75 13.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 5.35 110.254 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.73 118.8 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.395 -0.366 . . . . 5.29 110.278 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.52 118.42 19.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.091 -0.504 . . . . 4.72 111.51 -177.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.2 130.2 37.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.307 -0.406 . . . . 4.74 110.088 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -79.25 -73.88 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.481 0.658 . . . . 4.86 109.944 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 5.6 t70 179.76 -129.47 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.603 -1.258 . . . . 5.08 107.603 -174.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 5.4 t70 174.45 52.56 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 O-C-N 123.929 0.768 . . . . 3.99 109.194 173.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -76.37 91.59 3.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.846 -0.615 . . . . 1.9 110.242 -178.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.486 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -92.85 111.79 23.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.891 -0.595 . . . . 1.93 109.815 178.064 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.5 140.45 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.981 -0.554 . . . . 0.47 110.235 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.552 HD11 HG13 ' A' ' 863' ' ' VAL . 3.0 mt -94.21 103.75 15.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 1.37 109.869 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 1.02 ' HB ' HD13 ' A' ' 840' ' ' LEU . 2.4 m -97.93 94.79 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.385 -0.825 . . . . 1.06 109.635 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 854' ' ' ALA . 6.0 t -103.06 143.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.401 -0.818 . . . . 1.07 110.094 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -158.9 143.87 16.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.611 -0.514 . . . . 1.3 109.611 175.138 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . 0.539 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -90.24 -21.18 22.25 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.033 0.383 . . . . 2.03 112.033 -176.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -115.34 92.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 2.12 109.795 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.618 ' HA ' ' HB2' ' A' ' 837' ' ' ARG . 96.2 Cg_exo -44.23 -22.61 0.56 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 125.001 3.8 . . . . 1.12 116.16 -165.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.597 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -56.69 -37.63 53.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.269 0.557 . . . . 2.26 110.211 176.139 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -80.99 -36.26 30.94 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.731 -0.388 . . . . 1.83 110.044 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.758 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 2.3 ttp180 -54.21 -44.17 71.4 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.369 0.418 . . . . 2.78 111.375 176.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.23 -33.36 71.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 2.75 110.456 178.293 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.67 -50.35 69.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.217 -0.447 . . . . 1.14 111.046 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 1.02 HD13 ' HB ' ' A' ' 829' ' ' VAL . 1.5 pp -69.23 -26.96 65.06 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 110.378 -0.231 . . . . 1.43 110.378 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.15 87.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.602 0.715 . . . . 0.6 109.399 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.09 -49.14 20.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.857 -1.065 . . . . 1.34 110.947 178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -52.34 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 1.85 111.682 -176.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -38.62 88.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.025 0.44 . . . . 1.24 110.251 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -59.41 -34.81 82.53 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.743 -0.662 . . . . 0.52 112.72 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 34.4 m -70.94 -25.82 62.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.962 0.411 . . . . 0.7 110.507 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.542 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -72.06 -17.87 61.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 1.56 110.421 176.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 85.0 9.6 80.29 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.849 -0.614 . . . . 0.62 112.656 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.38 160.41 14.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.814 0.34 . . . . 1.22 111.194 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.486 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 30.6 mt-30 -74.02 110.15 8.09 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.126 -0.488 . . . . 2.38 110.222 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 109.59 20.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.498 -0.319 . . . . 0.94 110.596 -179.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.482 ' HE2' ' HB3' ' A' ' 826' ' ' MET . 2.5 mptt -101.38 109.49 21.33 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.673 -0.862 . . . . 1.44 108.673 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -89.61 133.76 34.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.132 0.491 . . . . 0.62 111.764 -171.55 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -139.51 172.45 12.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.605 -0.725 . . . . 0.47 109.763 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 38.0 t30 -149.33 74.5 1.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.001 -0.28 . . . . 1.9 111.207 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 0.7 OUTLIER 161.38 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.275 0.984 . . . . 1.45 109.471 169.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -71.78 -40.15 58.64 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.302 -0.951 . . . . 0.58 111.06 172.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.47 ' HA ' HD23 ' A' ' 861' ' ' LEU . 27.0 m -73.93 -29.33 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.709 0.29 . . . . 0.95 110.742 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.63 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 36.9 t0 -56.27 -36.44 68.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.305 -0.407 . . . . 0.84 110.26 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.32 90.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.645 -0.707 . . . . 0.51 110.892 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 890' ' ' ILE . 1.7 mm? -59.61 -46.15 89.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.335 0.588 . . . . 1.85 110.358 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.86 -52.14 65.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.998 -1.001 . . . . 1.72 111.315 -177.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.7 -32.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.601 -0.272 . . . . 0.89 111.433 -176.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 872' ' ' VAL . 5.3 mt -65.8 -32.07 73.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.002 0.429 . . . . 1.66 110.976 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.0 m -80.17 -27.54 38.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 0.82 110.756 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -55.8 4.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 3.46 111.185 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -122.27 159.35 27.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.713 -0.477 . . . . 1.86 109.713 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -87.9 132.86 34.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.478 -0.489 . . . . 3.12 111.017 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.433 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.7 mp -132.26 142.26 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.184 -0.916 . . . . 1.06 109.423 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -82.66 -52.04 7.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.008 0.373 . . . . 1.64 112.008 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 142.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 1.03 110.594 -178.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 864' ' ' LEU . 77.9 t -119.5 132.18 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.8 -0.36 . . . . 0.67 111.101 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.696 HD11 HG12 ' A' ' 829' ' ' VAL . 0.3 OUTLIER -129.15 120.25 25.52 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.87 -0.419 . . . . 0.87 109.87 173.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.619 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.4 p -109.48 109.75 20.66 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.469 -0.332 . . . . 0.73 110.814 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.784 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -86.24 110.2 19.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.81 -0.632 . . . . 1.34 109.95 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.915 HG13 ' HD2' ' A' ' 879' ' ' PRO . 1.0 OUTLIER -123.99 124.52 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.949 -0.569 . . . . 1.29 110.845 -174.419 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.701 ' HB3' ' HE3' ' A' ' 925' ' ' LYS . 0.0 OUTLIER -127.45 -34.35 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 2.55 111.1 175.754 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.807 ' HB3' ' HD3' ' A' ' 879' ' ' PRO . 1.8 ttm -56.85 -54.85 49.81 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 121.087 -0.245 . . . . 3.66 111.124 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.915 ' HD2' HG13 ' A' ' 876' ' ' VAL . 3.3 Cg_exo -81.57 55.86 5.72 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.456 2.104 . . . . 3.48 112.008 175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -82.06 -28.15 32.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 4.87 111.018 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.21 5.28 40.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.93 0.872 . . . . 5.58 109.097 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -117.43 -111.58 0.35 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.096 -1.411 . . . . 4.99 107.404 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 885' ' ' ARG . . . 75.02 -149.12 38.93 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.598 -0.811 . . . . 3.04 112.823 172.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.871 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 10.5 p90 46.68 -70.14 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.505 1.522 . . . . 2.84 113.586 -172.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.506 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.73 -26.85 47.46 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.329 -0.851 . . . . 3.36 112.919 -164.134 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -38.25 89.95 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.318 1.056 . . . . 2.34 109.177 -172.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.984 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 90.8 m -77.65 -26.82 50.74 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.423 -1.262 . . . . 1.28 108.922 177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 1.4 tm0? -59.12 -40.48 85.53 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.127 -0.694 . . . . 2.17 109.127 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.78 91.62 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.711 -0.677 . . . . 2.36 110.918 174.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.855 ' HA ' HD11 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -62.07 -32.33 54.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 121.16 0.505 . . . . 1.71 110.711 176.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.511 ' HD3' ' OE1' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -75.06 -32.01 61.42 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.052 -0.522 . . . . 2.24 110.733 178.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.511 ' OE1' ' HD3' ' A' ' 891' ' ' ARG . 20.2 mm100 -67.35 -27.93 67.54 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.126 0.489 . . . . 2.62 110.185 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -48.94 62.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 1.91 109.543 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.03 60.33 0.97 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.872 -0.68 . . . . 1.12 112.034 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.583 HD22 HG23 ' A' ' 890' ' ' ILE . 1.3 pt? -89.67 147.88 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.129 0.49 . . . . 2.89 111.027 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -34.55 18.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.647 -0.706 . . . . 2.49 111.761 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 895' ' ' LEU . 0.8 OUTLIER -77.52 157.21 80.34 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.609 -0.723 . . . . 1.4 111.837 -171.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.43 148.38 23.51 Favored 'Trans proline' 0 C--O 1.245 0.854 0 C-N-CA 123.287 2.658 . . . . 0.73 113.367 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.895 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 80.4 t -119.59 128.58 75.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 115.285 -0.871 . . . . 0.64 110.648 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -100.41 105.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.622 -0.717 . . . . 0.64 109.717 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . 0.607 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -88.36 101.04 2.69 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.898 -0.668 . . . . 0.48 112.454 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.1 t -76.38 122.37 30.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 35.7 p -128.47 153.47 47.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.788 0.328 . . . . 0.89 111.491 -171.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.99 110.27 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.355 -0.384 . . . . 1.19 111.643 178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.81 56.36 1.13 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.495 0.554 . . . . 2.7 112.495 171.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.714 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -108.02 -28.19 9.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.853 0.358 . . . . 2.81 110.583 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.9 mt 64.03 18.76 11.41 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.563 -0.744 . . . . 3.93 111.443 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -166.05 29.11 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 2.09 109.274 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.714 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 51.0 mp0 -60.06 -53.06 62.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.888 . . . . 3.31 111.23 -175.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -63.59 -35.66 81.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.532 -0.758 . . . . 3.58 110.41 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.29 110.97 178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.871 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 2.2 mt-30 -70.33 -39.44 74.74 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.056 -0.72 . . . . 2.65 109.056 176.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.478 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.3 OUTLIER -62.13 -26.94 68.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 4.05 110.535 178.019 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 40.0 m -74.97 -43.6 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 1.65 110.373 174.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -52.8 22.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.869 -0.605 . . . . 1.88 111.598 -175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.984 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.26 -38.34 35.72 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 3.47 110.817 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.3 m 52.27 52.59 13.96 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.002 1.112 . . . . 1.35 114.002 174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.416 ' HA3' HG22 ' A' ' 887' ' ' THR . . . -125.02 1.83 8.42 Favored Glycine 0 C--N 1.318 -0.449 0 C-N-CA 119.636 -1.269 . . . . 1.02 111.957 174.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.895 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 4.7 mtm -92.04 -124.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 2.01 111.833 -173.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.7 t70 171.0 -55.22 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.804 -1.089 . . . . 1.26 108.179 177.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 157.56 44.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.372 -0.831 . . . . 1.26 109.787 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 81.6 m -121.43 146.35 46.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.74 0.305 . . . . 1.13 110.513 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 935' ' ' THR . 76.9 mt -131.0 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.69 110.442 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.86 144.54 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.89 -0.411 . . . . 0.89 109.89 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.701 ' HE3' ' HB3' ' A' ' 877' ' ' ASN . 2.4 ttmm -50.22 -42.23 71.26 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 113.546 0.943 . . . . 1.11 113.546 -176.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 31.5 Cg_endo -65.88 61.18 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.028 1.819 . . . . 1.01 113.476 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . 0.407 ' HB ' HD12 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -85.96 79.5 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 1.36 110.617 176.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.47 174.04 7.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.993 -0.549 . . . . 0.92 110.53 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.01 -38.57 62.45 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.684 0.278 . . . . 0.92 111.426 -177.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 934' ' ' GLN . 9.8 t70 -63.29 -56.74 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.068 0.461 . . . . 1.85 110.368 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 29.2 t -66.0 -42.76 92.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.428 -0.806 . . . . 0.93 111.391 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 1.2 tt -64.54 -31.07 52.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 1.18 111.021 -177.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -32.57 61.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.12 -0.232 . . . . 1.9 110.731 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 930' ' ' ASP . 66.3 mt-30 -55.59 -55.71 28.77 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.421 0.629 . . . . 2.25 109.916 174.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . 0.461 HG21 HD11 ' A' ' 923' ' ' LEU . 0.3 OUTLIER -69.83 -41.43 74.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.33 -0.85 . . . . 0.62 111.88 -177.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -60.79 -48.72 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.83 -0.168 . . . . 0.86 111.303 -177.435 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 70.6 m -62.64 -44.46 96.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.581 0.229 . . . . 0.87 111.316 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -40.72 92.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.053 0.454 . . . . 1.42 110.936 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 935' ' ' THR . 0.3 OUTLIER -71.28 -41.81 69.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.183 -0.462 . . . . 1.59 111.514 -177.021 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -61.32 -40.58 94.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 0.61 110.814 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.21 -38.73 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 1.87 110.192 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -63.13 -48.07 80.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 3.11 110.818 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.27 -30.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.566 -0.288 . . . . 0.75 110.294 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -57.5 -45.06 85.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.058 0.456 . . . . 3.58 109.932 175.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -70.47 -44.06 68.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.619 -0.719 . . . . 2.78 110.807 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -60.07 -39.78 87.21 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.024 0.44 . . . . 1.34 111.47 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -59.44 2.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.407 . . . . 3.53 110.966 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 38.0 t70 63.11 -85.0 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.87 0.731 . . . . 2.64 109.086 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.779 -0.822 . . . . 5.09 108.779 174.19 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.951 0.405 . . . . 7.01 110.753 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -92.0 46.56 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.141 0.496 . . . . 5.35 110.784 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.68 117.57 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 5.29 109.462 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.67 163.02 13.01 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.166 -0.47 . . . . 4.72 111.278 -173.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.05 172.75 8.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.756 -0.656 . . . . 4.74 110.01 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -163.5 111.79 1.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.892 0.377 . . . . 4.86 111.847 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -79.84 71.39 6.51 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.714 -0.847 . . . . 5.08 108.714 169.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.86 62.95 4.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.248 -0.887 . . . . 3.99 110.915 -174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 26.5 mtp -104.47 121.79 44.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.312 -0.858 . . . . 1.9 110.943 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 4.9 ptp -109.81 133.17 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.282 -0.872 . . . . 1.93 110.292 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.999 ' HB ' HD21 ' A' ' 844' ' ' LEU . 3.9 mm -121.2 143.42 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.323 0.583 . . . . 0.47 110.531 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 863' ' ' VAL . 0.1 OUTLIER -94.76 118.04 31.1 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.592 -0.731 . . . . 1.37 110.484 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.581 HG13 HD22 ' A' ' 844' ' ' LEU . 0.2 OUTLIER -106.62 98.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.29 0.567 . . . . 1.06 109.787 177.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 854' ' ' ALA . 19.7 t -109.36 137.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.718 -0.674 . . . . 1.07 110.474 -177.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.537 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 6.5 t0 -144.68 130.93 19.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.106 -0.702 . . . . 1.3 109.106 171.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -67.01 -13.19 61.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.044 0.449 . . . . 2.03 111.13 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.562 ' HB3' ' HD2' ' A' ' 834' ' ' PRO . 47.3 m170 -116.34 -176.08 0.35 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 109.387 -0.598 . . . . 2.12 109.387 177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 833' ' ' HIS . 84.8 Cg_endo -94.69 -32.65 0.05 OUTLIER 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.643 1.562 . . . . 1.12 114.646 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 1.4 pt -69.22 -42.59 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 112.272 0.471 . . . . 2.26 112.272 -171.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -22.7 48.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.779 -0.452 . . . . 1.83 109.779 -178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.429 ' HG3' ' HB3' ' A' ' 831' ' ' ASP . 8.2 ttm180 -63.14 -52.58 61.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.266 -0.425 . . . . 2.78 110.545 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.1 OUTLIER -66.28 -30.22 70.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.522 -0.308 . . . . 2.75 110.85 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.53 -43.84 53.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 1.14 111.015 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' A' ' 829' ' ' VAL . 15.1 tp -66.92 -46.37 75.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.847 -0.615 . . . . 1.43 110.922 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.66 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.6 110.733 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . 0.58 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 5.4 t0 -66.25 -46.68 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.34 110.04 176.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.49 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.7 OUTLIER -57.96 -48.36 80.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.575 -0.739 . . . . 1.85 110.522 177.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.999 HD21 ' HB ' ' A' ' 827' ' ' ILE . 13.7 tp -59.97 -42.57 94.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.805 -0.634 . . . . 1.24 111.155 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -69.12 -21.76 75.73 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.816 -0.707 . . . . 0.52 112.127 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 49.5 m -82.97 -19.5 36.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.423 0.154 . . . . 0.7 111.354 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.552 HD21 HD12 ' A' ' 844' ' ' LEU . 1.2 pp -96.49 -10.71 26.8 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.432 -0.507 . . . . 1.56 110.623 173.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.72 28.8 13.11 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.782 -0.723 . . . . 0.62 114.198 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . 0.418 ' HD1' ' HA ' ' A' ' 849' ' ' TYR . 1.1 m-30 -111.63 155.87 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.613 0.707 . . . . 1.22 110.914 176.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 850' ' ' GLN . 2.4 mp0 -65.79 112.3 3.66 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.99 -0.55 . . . . 2.38 111.013 -175.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.634 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.46 105.47 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.206 -0.452 . . . . 0.94 111.648 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.4 115.07 27.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.569 -0.53 . . . . 1.44 109.569 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.99 136.99 32.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.646 0.61 . . . . 0.62 112.646 -172.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.834 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -150.8 165.25 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.707 -0.849 . . . . 0.47 108.707 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 14.6 p-10 -136.1 72.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.031 -0.668 . . . . 1.9 112.2 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.806 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 34.1 t0 162.83 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.008 -0.997 . . . . 1.45 109.385 171.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.984 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -66.03 -43.36 93.63 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.357 -0.925 . . . . 0.58 111.288 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.682 HG22 ' HB3' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -74.3 -28.74 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.91 -0.171 . . . . 0.95 110.641 177.644 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 24.6 t0 -56.1 -40.81 74.23 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.7 -0.482 . . . . 0.84 109.7 172.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 864' ' ' LEU . . . -56.98 -47.33 81.04 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.684 -0.689 . . . . 0.51 110.274 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.47 -39.37 73.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.072 -0.513 . . . . 1.85 111.047 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -63.6 -50.23 70.24 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.949 -0.569 . . . . 1.72 110.661 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -34.23 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.818 -0.628 . . . . 0.89 110.721 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 860' ' ' ALA . 75.3 mt -69.07 -32.05 71.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.988 0.423 . . . . 1.66 110.753 177.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 47.5 m -64.55 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.82 110.249 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -83.49 -59.48 2.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.269 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . 0.506 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 36.9 t30 -125.47 138.41 53.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.817 -0.629 . . . . 1.86 109.899 -174.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -57.5 -53.75 54.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 3.12 112.349 -174.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 8.2 mm 66.36 149.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 123.316 0.385 . . . . 1.06 110.329 -173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.04 -64.77 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.785 -0.572 . . . . 1.64 111.302 -176.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.627 ' HB ' HG23 ' A' ' 827' ' ' ILE . 9.1 mm -110.99 136.73 46.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.245 -0.434 . . . . 1.03 110.015 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 828' ' ' LEU . 63.5 t -118.83 127.53 75.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.957 -0.297 . . . . 0.67 111.211 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.55 102.3 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.749 -0.463 . . . . 0.87 109.749 174.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.591 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -99.65 106.63 18.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.223 -0.444 . . . . 0.73 110.782 -178.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 45.0 t0 -84.48 132.52 34.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.746 . . . . 1.34 111.418 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.33 128.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.831 -0.622 . . . . 1.29 110.395 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.453 ' CA ' ' HE3' ' A' ' 925' ' ' LYS . 0.1 OUTLIER -93.33 -6.99 46.11 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.547 0.689 . . . . 2.55 109.423 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.425 ' HG3' ' HB3' ' A' ' 881' ' ' MET . 5.9 tpt -131.47 63.97 71.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 115.202 -0.908 . . . . 3.66 111.551 -171.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.423 ' HG2' ' HB3' ' A' ' 906' ' ' ALA . 58.1 Cg_endo -72.72 -22.74 20.17 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.223 1.949 . . . . 3.48 111.546 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -64.11 -33.12 75.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.44 -0.8 . . . . 4.87 110.16 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.425 ' HB3' ' HG3' ' A' ' 878' ' ' MET . 25.3 ttp -85.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.522 -0.763 . . . . 5.58 109.445 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -167.9 98.18 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.186 0.517 . . . . 4.99 111.094 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -124.67 9.01 8.18 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.372 -1.091 . . . . 3.04 110.372 172.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 4.6 p90 -119.75 -50.76 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.847 -0.677 . . . . 2.84 111.381 -174.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -58.2 -27.83 64.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.65 0.738 . . . . 3.36 111.39 -165.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.984 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -72.6 -28.63 62.9 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.219 -0.9 . . . . 2.34 109.475 -174.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.881 ' HB ' ' HG3' ' A' ' 916' ' ' GLU . 22.4 m -76.33 -27.45 56.51 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 114.642 -1.163 . . . . 1.28 108.798 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.765 ' HB2' ' HB2' ' A' ' 916' ' ' GLU . 31.7 tt0 -63.16 -37.36 86.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.497 -0.774 . . . . 2.17 109.252 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -39.83 93.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.578 -0.737 . . . . 2.36 110.256 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 899' ' ' VAL . 0.4 OUTLIER -60.69 -38.53 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.868 0.365 . . . . 1.71 110.781 176.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.577 ' HA ' HD22 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -74.81 -30.63 61.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.936 0.398 . . . . 2.24 110.766 -179.041 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.73 52.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 2.62 110.928 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -30.04 62.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 1.91 110.643 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 105.92 71.56 0.8 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.003 -0.839 . . . . 1.12 111.003 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 891' ' ' ARG . 1.2 pt? -66.67 126.63 29.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.439 0.638 . . . . 2.89 111.881 -173.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 47.77 1.44 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.404 -0.816 . . . . 2.49 109.444 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 898' ' ' PRO . 0.7 OUTLIER -168.91 143.22 2.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.135 -0.938 . . . . 1.4 109.758 -173.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 7.3 Cg_exo -73.41 124.27 9.28 Favored 'Trans proline' 0 C--O 1.238 0.498 0 C-N-CA 122.699 2.266 . . . . 0.73 111.612 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.904 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 16.1 t -99.87 109.77 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.609 0.719 . . . . 0.64 110.635 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.19 108.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.626 -0.716 . . . . 0.64 109.485 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . 0.567 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -91.96 101.85 2.85 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 111.177 -0.769 . . . . 0.48 111.177 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 923' ' ' LEU . 3.7 p -99.06 129.1 49.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.804 -0.813 . . . . 1.04 108.804 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.3 p -143.59 162.85 34.81 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.362 -0.535 . . . . 0.89 112.186 -168.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -87.44 128.77 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.618 -0.719 . . . . 1.19 109.182 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . 0.453 HD21 HD13 ' A' ' 907' ' ' LEU . 4.5 t30 -58.87 111.23 1.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.569 0.543 . . . . 2.7 111.526 -175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.423 ' HB3' ' HG2' ' A' ' 879' ' ' PRO . . . -120.91 -7.06 9.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 2.81 110.444 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 905' ' ' ASN . 1.0 OUTLIER 67.74 30.31 6.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.443 -0.799 . . . . 3.93 111.849 177.044 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -135.86 -12.56 1.97 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.825 0.822 . . . . 2.09 110.067 175.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 909' ' ' GLU . 16.8 pm0 -69.5 -19.97 63.72 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.034 -0.985 . . . . 3.31 111.901 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.515 ' H ' ' HG3' ' A' ' 910' ' ' GLU . 0.0 OUTLIER -66.43 -50.89 61.87 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.118 -0.327 . . . . 3.58 110.118 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -30.7 69.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.13 -0.486 . . . . 2.29 110.733 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.755 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 1.4 mp0 -72.49 -36.55 68.44 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.4 -0.52 . . . . 2.65 110.566 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.641 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 4.3 ttm180 -68.05 -27.96 66.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.494 . . . . 4.05 110.163 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 57.7 m -70.75 -33.42 70.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.65 110.028 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 915' ' ' LEU . 7.5 mt -71.96 -53.23 13.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.971 -0.559 . . . . 1.88 112.021 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.881 ' HG3' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -78.64 -43.69 25.63 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.686 -0.405 . . . . 3.47 111.002 -176.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.9 m 45.51 52.2 9.3 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.979 1.103 . . . . 1.35 113.979 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -125.14 -0.32 8.15 Favored Glycine 0 C--N 1.316 -0.531 0 C-N-CA 119.728 -1.225 . . . . 1.02 112.353 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.904 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 7.0 mtt -75.21 -112.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.288 0.477 . . . . 2.01 112.288 -172.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.569 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.5 t70 163.27 -51.91 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 114.875 -1.057 . . . . 1.26 108.399 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.78 166.56 23.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.48 -0.782 . . . . 1.26 110.325 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 72.6 m -135.17 129.51 33.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.527 -0.306 . . . . 1.13 110.294 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 1.069 ' HB2' HG23 ' A' ' 902' ' ' VAL . 0.5 OUTLIER -126.95 -174.49 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.162 -0.472 . . . . 0.69 110.193 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 1.6 m -117.96 138.18 52.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.353 -0.385 . . . . 0.89 110.152 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.502 ' HG3' ' OD2' ' A' ' 875' ' ' ASP . 2.1 ttmm -30.03 -54.34 0.34 Allowed Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 114.773 1.397 . . . . 1.11 114.773 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 53.2 Cg_endo -70.45 69.0 2.06 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.678 1.585 . . . . 1.01 113.56 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.81 102.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 1.36 110.299 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.41 -179.66 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.251 -0.431 . . . . 0.92 111.415 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -59.11 -47.03 86.77 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.241 0.46 . . . . 0.92 112.241 -173.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -37.63 54.84 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.872 -0.331 . . . . 1.85 110.82 -175.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.93 110.449 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 843' ' ' GLN . 2.3 tt -68.6 -28.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.18 110.508 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -70.47 -48.2 56.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.605 -0.27 . . . . 1.9 111.437 -177.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.29 87.98 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.487 -0.485 . . . . 2.25 110.444 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -48.5 72.41 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.612 0.244 . . . . 0.62 111.009 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 936' ' ' LEU . 0.2 OUTLIER -59.54 -49.64 76.98 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.86 110.461 179.181 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 68.6 m -63.01 -44.18 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.874 -0.603 . . . . 0.87 111.564 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.85 80.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.406 -0.361 . . . . 1.42 110.951 -178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.82 -26.5 59.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.414 -0.357 . . . . 1.59 111.346 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.26 67.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.084 -0.339 . . . . 0.61 110.084 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -62.11 -31.07 71.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 1.87 110.223 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -47.77 63.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.489 -0.323 . . . . 3.11 111.003 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.29 -30.18 38.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 121.017 -0.273 . . . . 0.75 110.928 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -67.8 -37.2 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.516 -0.55 . . . . 3.58 109.516 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 9.6 mtmt -65.1 -44.87 87.38 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.044 -0.526 . . . . 2.78 110.365 175.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 8.5 m -63.03 -27.75 69.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.076 0.465 . . . . 1.34 111.023 176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.05 -61.75 1.87 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 3.53 111.592 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -82.63 -14.66 54.34 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.902 -0.319 . . . . 2.64 111.352 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.962 -0.542 . . . . 5.09 111.376 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.163 -0.31 . . . . 7.01 110.163 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -143.89 121.57 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.89 0.376 . . . . 5.35 111.019 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.64 127.26 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.995 -0.548 . . . . 5.29 109.791 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.74 90.42 2.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.75 0.31 . . . . 4.72 111.198 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.73 -178.51 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 4.74 110.385 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -149.58 -60.77 0.21 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.342 0.591 . . . . 4.86 109.797 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' A' ' 824' ' ' ASP . 6.0 t70 -169.03 -104.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.717 -1.128 . . . . 5.08 108.98 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.662 ' HB3' ' HE1' ' A' ' 849' ' ' TYR . 13.0 t0 167.47 -50.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 O-C-N 124.11 0.881 . . . . 3.99 109.877 178.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.65 141.33 33.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 1.9 111.459 -173.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.0 mtt -102.47 117.68 35.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 1.93 110.318 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.422 HG23 ' HB ' ' A' ' 871' ' ' ILE . 1.9 mm -108.88 133.66 53.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.891 -0.595 . . . . 0.47 110.198 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.95 ' HB2' HG21 ' A' ' 869' ' ' ILE . 55.1 tp -99.43 115.57 29.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.998 -0.546 . . . . 1.37 110.47 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.667 ' HB ' HD21 ' A' ' 840' ' ' LEU . 3.6 m -101.7 95.69 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.433 0.635 . . . . 1.06 109.953 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.811 HG22 ' HG ' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -106.56 81.84 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 115.897 -0.592 . . . . 1.07 111.91 -172.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.476 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 23.1 t0 -113.37 128.21 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.732 -0.387 . . . . 1.3 110.022 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 28.8 t70 -65.34 -35.25 80.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.983 -0.553 . . . . 2.03 111.835 -178.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -92.28 122.13 65.28 Favored Pre-proline 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 2.12 110.735 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -47.95 -53.12 7.09 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.714 2.943 . . . . 1.12 114.478 -174.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.9 -29.73 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.012 0.434 . . . . 2.26 111.114 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.476 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 11.9 m120 -79.4 -32.76 43.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.653 -0.499 . . . . 1.83 109.653 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.409 ' HA ' ' HB3' ' A' ' 831' ' ' ASP . 28.3 ttm180 -61.29 -53.17 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 2.78 110.54 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 842' ' ' ASP . 0.0 OUTLIER -64.5 -27.77 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 2.75 110.611 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 839' ' ' LEU . 4.9 mt -70.55 -52.07 24.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 1.14 111.003 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.667 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -66.75 -31.23 71.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.117 0.484 . . . . 1.43 110.494 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.23 -24.22 60.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.63 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 838' ' ' ARG . 4.1 t70 -71.85 -44.31 64.04 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.398 -0.593 . . . . 1.34 109.398 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.766 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.9 OUTLIER -61.62 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.366 -0.834 . . . . 1.85 109.988 175.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.65 90.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.65 -0.704 . . . . 1.24 110.363 176.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.39 77.38 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.554 -0.748 . . . . 0.52 112.431 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 5.3 m -68.3 -28.35 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.999 0.428 . . . . 0.7 109.946 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -44.91 61.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 1.56 110.161 174.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.21 21.57 22.27 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.699 -0.762 . . . . 0.62 112.352 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . 0.662 ' HE1' ' HB3' ' A' ' 824' ' ' ASP . 1.2 m-85 -98.58 169.15 9.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.708 0.29 . . . . 1.22 110.979 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -66.95 123.46 20.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 2.38 110.126 178.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 123.54 45.45 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.521 -0.309 . . . . 0.94 110.64 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.42 124.67 51.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.417 -0.586 . . . . 1.44 109.417 175.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.489 ' HA ' HG23 ' A' ' 829' ' ' VAL . 0.7 OUTLIER -90.43 141.9 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.226 0.536 . . . . 0.62 112.088 -173.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.734 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.24 178.12 10.53 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.767 -0.827 . . . . 0.47 108.767 176.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.559 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.8 OUTLIER -159.46 74.25 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.16 -0.616 . . . . 1.9 112.337 -176.108 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.602 ' H ' HG12 ' A' ' 830' ' ' VAL . 21.8 t70 164.98 152.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.887 0.742 . . . . 1.45 110.187 174.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.647 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -63.79 -47.95 81.39 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.015 -0.612 . . . . 0.58 112.438 177.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.6 HG22 ' OD2' ' A' ' 856' ' ' ASP . 2.3 m -74.24 -30.39 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.95 110.576 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 31.7 t0 -64.22 -32.35 73.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.049 0.452 . . . . 0.84 110.107 176.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.25 -47.04 86.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 0.51 111.357 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.638 ' HB3' HG13 ' A' ' 890' ' ' ILE . 0.8 OUTLIER -74.2 -28.24 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.662 0.267 . . . . 1.85 110.551 178.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.4 -55.31 32.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.873 -0.603 . . . . 1.72 110.298 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.12 -30.86 51.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.89 110.115 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.83 HD11 HG21 ' A' ' 872' ' ' VAL . 1.2 mt -61.13 -32.59 72.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.0 0.429 . . . . 1.66 111.089 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 37.5 m -82.88 -19.53 37.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.331 -0.395 . . . . 0.82 110.996 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 4.93 31.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.308 . . . . 3.46 111.82 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -168.69 140.37 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.144 -0.317 . . . . 1.86 110.144 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -74.88 106.5 6.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.291 . . . . 3.12 110.922 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 828' ' ' LEU . 2.2 mt -113.1 141.87 27.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.269 -0.641 . . . . 1.06 109.269 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.32 -54.22 3.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.95 0.405 . . . . 1.64 111.169 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.422 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.2 mm -105.7 121.5 58.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 1.03 110.043 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.83 HG21 HD11 ' A' ' 864' ' ' LEU . 62.6 t -113.94 114.87 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.646 -0.421 . . . . 0.67 111.259 -175.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.45 108.07 13.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.87 110.203 177.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.17 108.19 20.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.303 0.573 . . . . 0.73 110.528 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 3.8 t0 -90.36 106.53 18.55 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.386 -0.825 . . . . 1.34 110.278 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.7 91.18 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.242 -0.89 . . . . 1.29 111.294 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -94.77 22.19 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.613 0.72 . . . . 2.55 109.409 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -126.22 107.89 24.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.072 -0.967 . . . . 3.66 109.652 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -90.78 48.52 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.829 2.353 . . . . 3.48 113.186 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.87 30.25 7.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.449 . . . . 4.87 111.175 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.431 ' HG2' ' N ' ' A' ' 882' ' ' ASP . 0.0 OUTLIER -161.25 146.07 13.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.382 -0.599 . . . . 5.58 109.382 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -55.18 129.53 38.57 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.923 -0.769 . . . . 4.99 108.923 173.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -72.03 63.58 1.29 Allowed Glycine 0 C--O 1.228 -0.278 0 O-C-N 123.377 0.423 . . . . 3.04 113.363 -171.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 1.045 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 3.0 p90 -167.48 -39.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.695 0.759 . . . . 2.84 111.465 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.512 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -57.44 -25.38 59.55 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.437 -0.801 . . . . 3.36 112.276 -161.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.647 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.6 OUTLIER -65.6 -36.5 83.92 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.993 0.901 . . . . 2.34 108.609 -171.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.8 m -78.52 -28.53 46.22 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 114.216 -1.357 . . . . 1.28 110.358 177.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.478 ' HG2' ' HD3' ' A' ' 885' ' ' ARG . 2.1 tp60 -60.93 -40.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.181 0.515 . . . . 2.17 109.645 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -70.54 -35.45 73.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.043 -0.526 . . . . 2.36 110.677 178.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.638 HG13 ' HB3' ' A' ' 861' ' ' LEU . 0.1 OUTLIER -65.51 -31.73 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.146 0.498 . . . . 1.71 110.499 175.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -70.48 -40.3 73.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 2.24 110.111 177.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 2.62 110.649 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -36.01 74.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.846 -0.615 . . . . 1.91 110.903 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 109.81 81.54 1.26 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.921 -0.657 . . . . 1.12 111.736 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.5 OUTLIER -84.65 148.3 26.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.539 . . . . 2.89 111.423 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.54 39.32 0.88 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 2.49 109.337 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.65 162.23 27.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.553 -0.749 . . . . 1.4 110.317 -173.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.94 118.04 5.39 Favored 'Trans proline' 0 C--O 1.246 0.878 0 C-N-CA 122.6 2.2 . . . . 0.73 112.67 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.874 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 35.9 t -104.9 118.76 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.428 0.632 . . . . 0.64 110.299 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 1.5 mp -111.34 111.08 34.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.619 -0.719 . . . . 0.64 110.064 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.44 113.34 4.54 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.563 -0.827 . . . . 0.48 112.019 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.8 t -87.03 98.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.03 -0.73 . . . . 1.04 109.03 176.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 126.24 52.01 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.738 -0.665 . . . . 0.89 112.032 -171.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 905' ' ' ASN . . . -78.12 134.68 37.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.202 -0.666 . . . . 1.19 109.202 171.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . 0.434 ' HB3' ' O ' ' A' ' 904' ' ' ALA . 48.6 t30 76.13 -50.77 0.61 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.195 0.598 . . . . 2.7 111.174 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 65.45 -89.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.116 0.567 . . . . 2.81 111.127 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.02 -73.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.751 0.657 . . . . 3.93 111.869 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.32 80.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.885 0.474 . . . . 2.09 111.143 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.516 ' HB3' ' H ' ' A' ' 910' ' ' GLU . 0.0 OUTLIER 35.98 -111.47 0.07 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.518 1.136 . . . . 3.31 113.82 168.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.516 ' H ' ' HB3' ' A' ' 909' ' ' GLU . 5.2 mt-10 -60.88 -34.12 74.15 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.37 -0.832 . . . . 3.58 112.064 -172.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.434 ' HE2' HD12 ' A' ' 915' ' ' LEU . 0.1 OUTLIER -68.63 -46.74 68.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.606 -0.438 . . . . 2.29 110.7 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 1.045 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.69 -29.17 58.92 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.002 -1.079 . . . . 2.65 109.879 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.502 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 10.1 ttm180 -62.01 -35.14 77.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.034 0.445 . . . . 4.05 110.323 174.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 -26.55 61.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.76 -0.459 . . . . 1.65 109.76 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.609 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -69.34 -51.45 36.79 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.687 -0.688 . . . . 1.88 111.313 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -75.88 -36.45 59.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.982 0.42 . . . . 3.47 110.5 178.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.73 49.37 20.47 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.401 0.889 . . . . 1.35 113.401 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.92 6.8 1.02 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 119.56 -1.305 . . . . 1.02 113.613 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.874 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.6 OUTLIER -82.39 -117.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.844 0.355 . . . . 2.01 111.778 -173.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 919' ' ' MET . 15.1 t0 167.13 -57.21 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.409 -0.96 . . . . 1.26 108.409 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 900' ' ' ILE . 45.4 m -150.24 134.4 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.726 -0.67 . . . . 1.26 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.14 138.22 47.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 1.13 109.947 175.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -175.13 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.41 -0.359 . . . . 0.69 110.218 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 927' ' ' VAL . 0.0 OUTLIER -99.24 151.77 20.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.995 -0.548 . . . . 0.89 109.942 178.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 926' ' ' PRO . 2.5 tptp -51.87 -48.55 87.53 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 112.997 0.74 . . . . 1.11 112.997 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 59.0 Cg_endo -72.02 63.02 3.31 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.037 1.824 . . . . 1.01 113.533 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 924' ' ' SER . 12.5 t -82.86 128.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 1.36 110.009 173.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.7 171.94 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.92 111.293 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.9 OUTLIER -56.91 -34.74 68.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.997 -0.547 . . . . 0.92 110.724 177.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -50.6 61.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.85 110.305 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.89 -46.76 93.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.93 110.757 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.766 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.3 OUTLIER -65.05 -27.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.184 -0.462 . . . . 1.18 111.434 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -48.64 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.207 -0.197 . . . . 1.9 111.236 -178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -68.84 -35.29 76.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.028 0.442 . . . . 2.25 110.49 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 96.2 m -65.32 -46.67 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.691 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -62.29 -45.29 93.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.86 110.81 178.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 8.0 m -62.63 -42.39 99.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.113 -0.494 . . . . 0.87 111.27 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -42.55 96.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.716 0.293 . . . . 1.42 111.367 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 20.4 m-30 -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.697 -0.229 . . . . 1.59 111.295 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.53 89.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.325 0.583 . . . . 0.61 109.576 173.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.65 78.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.407 -0.815 . . . . 1.87 109.899 175.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 943' ' ' VAL . 0.0 OUTLIER -63.5 -46.84 84.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 3.11 110.752 -177.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.558 ' N ' ' HG3' ' A' ' 942' ' ' ARG . 2.8 m -70.66 -31.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.618 -0.433 . . . . 0.75 110.546 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.14 81.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 3.58 110.293 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -74.92 -40.23 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 2.78 111.234 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 24.3 m -69.39 -26.37 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 1.34 111.173 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.35 -45.46 12.75 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.866 0.365 . . . . 3.53 110.158 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 5.5 t0 70.44 -7.72 0.98 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.279 -0.873 . . . . 2.64 112.358 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.82 -0.61 . . . . 5.09 109.724 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.766 -0.457 . . . . 7.01 109.766 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -133.51 113.17 12.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.29 -0.263 . . . . 5.35 110.29 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 819' ' ' VAL . 0.0 OUTLIER -64.34 106.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.415 0.626 . . . . 5.29 110.784 -178.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.16 39.05 1.45 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.696 -0.684 . . . . 4.72 110.812 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.84 105.21 12.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.857 -0.61 . . . . 4.74 109.726 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -68.8 0.48 Allowed 'General case' 0 CA--C 1.502 -0.865 0 CA-C-O 121.277 0.561 . . . . 4.86 110.726 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -169.95 -86.15 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.091 -0.959 . . . . 5.08 109.437 -174.371 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.549 ' HB3' ' H ' ' A' ' 825' ' ' MET . 1.0 OUTLIER 166.02 -96.83 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.868 0.73 . . . . 3.99 110.007 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . 0.549 ' H ' ' HB3' ' A' ' 824' ' ' ASP . 0.0 OUTLIER -149.55 139.42 21.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.353 -0.981 . . . . 1.9 108.353 177.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.74 118.91 33.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.145 0.498 . . . . 1.93 111.258 -175.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.9 mm -111.44 135.87 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 0.47 110.218 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 872' ' ' VAL . 0.3 OUTLIER -93.78 103.67 15.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.052 -0.522 . . . . 1.37 110.051 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 840' ' ' LEU . 4.8 m -92.43 94.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.775 0.798 . . . . 1.06 109.753 176.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.725 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 2.3 t -105.76 141.41 21.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.302 -0.863 . . . . 1.07 109.362 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.589 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 5.9 t70 -147.82 138.31 23.06 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.891 0.377 . . . . 1.3 110.236 172.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . 0.642 ' CB ' ' HA ' ' A' ' 876' ' ' VAL . 36.4 t0 -86.85 55.5 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.406 -0.815 . . . . 2.03 109.335 175.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.463 ' HD2' ' SD ' ' A' ' 878' ' ' MET . 0.0 OUTLIER -175.49 162.9 2.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 108.128 -1.064 . . . . 2.12 108.128 -178.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -89.24 -41.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.475 1.45 . . . . 1.12 113.452 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -69.0 -44.54 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.646 -0.252 . . . . 2.26 111.583 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -25.64 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.024 -0.362 . . . . 1.83 110.024 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.601 ' HD2' HG22 ' A' ' 853' ' ' THR . 0.0 OUTLIER -60.17 -50.52 73.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 2.78 110.584 175.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -70.96 -30.03 66.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 2.75 110.88 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -45.18 48.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.006 0.431 . . . . 1.14 110.987 -177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.531 HD21 ' HB ' ' A' ' 829' ' ' VAL . 0.0 OUTLIER -71.11 -30.06 66.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.274 -0.421 . . . . 1.43 110.365 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.65 67.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.6 110.243 173.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -66.84 -46.69 74.3 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.583 -0.525 . . . . 1.34 109.583 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.66 ' HB3' HG21 ' A' ' 932' ' ' ILE . 0.5 OUTLIER -58.52 -43.93 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.85 110.322 176.103 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.587 ' HA ' HD12 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -62.41 -40.72 97.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.787 -0.642 . . . . 1.24 110.856 177.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.01 -27.46 72.29 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.84 -0.618 . . . . 0.52 111.961 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.6 m -72.6 -27.95 62.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.047 0.451 . . . . 0.7 110.059 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.631 HD13 ' HG ' ' A' ' 936' ' ' LEU . 2.6 mt -77.11 -22.11 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 1.56 110.371 176.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 76.88 25.92 63.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.956 -0.64 . . . . 0.62 112.407 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -104.28 166.25 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.714 0.292 . . . . 1.22 111.002 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.91 116.68 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 2.38 110.613 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 852' ' ' LYS . 1.8 m -96.51 116.25 28.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.908 0.385 . . . . 0.94 111.043 -176.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.33 111.66 23.72 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.208 -0.664 . . . . 1.44 109.208 174.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.601 HG22 ' HD2' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.43 133.34 35.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.02 0.438 . . . . 0.62 111.892 -172.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.452 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -144.99 165.42 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.47 109.825 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.645 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 5.9 t-20 -141.44 72.88 1.4 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 1.9 110.423 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.726 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 3.5 t70 160.61 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.588 1.155 . . . . 1.45 109.681 170.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.547 ' HA3' HD13 ' A' ' 886' ' ' LEU . . . -73.34 -40.88 47.55 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.967 -0.853 . . . . 0.58 110.967 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.505 HG22 ' OD1' ' A' ' 856' ' ' ASP . 32.8 m -72.97 -28.44 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.18 0.514 . . . . 0.95 110.05 176.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.726 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 3.1 t0 -56.68 -40.25 75.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.84 110.215 175.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 863' ' ' VAL . . . -66.6 -33.53 75.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.443 -0.799 . . . . 0.51 110.982 178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 858' ' ' VAL . 2.4 mp -62.74 -44.94 94.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.171 0.51 . . . . 1.85 110.639 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -67.34 -47.78 69.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 1.72 111.039 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 860' ' ' ALA . 5.0 p -64.01 -31.19 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.322 -0.399 . . . . 0.89 110.689 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.484 ' HG ' HD12 ' A' ' 869' ' ' ILE . 0.3 OUTLIER -65.51 -32.78 74.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.235 0.541 . . . . 1.66 110.535 174.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 10.3 m -83.17 -12.29 57.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.864 -0.607 . . . . 0.82 111.078 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -43.58 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.861 0.319 . . . . 3.46 111.861 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -138.22 147.95 44.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.563 -0.29 . . . . 1.86 110.454 -174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -77.19 103.44 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.38 . . . . 3.12 111.212 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.484 HD12 ' HG ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -97.72 138.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.604 -0.888 . . . . 1.06 108.604 169.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -89.64 -33.66 16.57 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.588 0.218 . . . . 1.64 111.588 -170.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -133.0 134.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.781 -0.452 . . . . 1.03 109.781 174.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.876 HG23 HD11 ' A' ' 897' ' ' LEU . 50.3 t -114.63 130.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.547 -0.461 . . . . 0.67 111.206 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -134.32 119.71 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 174.079 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.725 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.73 111.6 -175.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.589 ' HB3' ' HA ' ' A' ' 831' ' ' ASP . 4.8 t0 -76.28 156.21 33.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.721 . . . . 1.34 109.296 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.698 HG11 ' HA2' ' A' ' 883' ' ' GLY . 0.0 OUTLIER -146.09 158.46 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.118 0.414 . . . . 1.29 112.118 -178.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 876' ' ' VAL . 7.9 t-20 122.37 74.89 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 O-C-N 125.391 1.682 . . . . 2.55 110.989 169.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.741 ' H ' ' HD2' ' A' ' 879' ' ' PRO . 7.8 tpt -119.87 -54.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.503 -0.771 . . . . 3.66 110.597 171.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 878' ' ' MET . 39.5 Cg_endo -69.96 -68.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.689 1.593 . . . . 3.48 112.368 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . 0.403 ' HB2' ' H ' ' A' ' 881' ' ' MET . 11.9 p30 -158.38 -149.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.56 -0.291 . . . . 4.87 110.81 -178.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.403 ' H ' ' HB2' ' A' ' 880' ' ' ASN . 0.5 OUTLIER -81.42 75.26 8.39 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.015 0.436 . . . . 5.58 111.231 -176.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -134.8 -169.54 2.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 4.99 109.48 173.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.698 ' HA2' HG11 ' A' ' 876' ' ' VAL . . . 129.67 -17.48 5.51 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.729 -0.748 . . . . 3.04 111.646 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.76 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 15.3 p90 -91.7 -44.43 9.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.691 0.758 . . . . 2.84 110.909 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.599 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -55.51 -25.83 39.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.819 0.818 . . . . 3.36 111.421 -170.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.601 HD21 ' HA2' ' A' ' 883' ' ' GLY . 0.2 OUTLIER -76.79 -22.1 54.19 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.536 -0.913 . . . . 2.34 108.536 -172.118 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.677 ' HA ' HD12 ' A' ' 890' ' ' ILE . 14.7 m -76.01 -30.99 58.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.466 -1.243 . . . . 1.28 109.194 175.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.411 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 10.2 tt0 -60.16 -37.1 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.317 -0.856 . . . . 2.17 109.087 173.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -34.14 70.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.199 -0.91 . . . . 2.36 110.816 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 887' ' ' THR . 96.8 mt -61.72 -50.41 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.886 0.374 . . . . 1.71 110.622 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.464 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -70.51 -23.3 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.24 110.958 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.74 -39.39 66.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 2.62 109.74 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -50.07 24.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.483 -0.78 . . . . 1.91 110.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.97 91.87 0.84 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.861 -0.685 . . . . 1.12 112.188 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -76.72 126.97 31.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.123 0.487 . . . . 2.89 110.86 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.47 -2.22 25.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.962 -0.563 . . . . 2.49 110.745 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.876 HD11 HG23 ' A' ' 872' ' ' VAL . 0.6 OUTLIER -148.7 162.32 30.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.6 . . . . 1.4 110.623 -172.199 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.07 133.75 36.88 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.982 2.454 . . . . 0.73 112.895 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 1.6 t -113.24 118.91 59.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.661 . . . . 0.64 110.579 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 3.7 mt -104.71 109.93 29.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.757 -0.656 . . . . 0.64 109.935 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -94.26 130.14 10.18 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.479 -0.867 . . . . 0.48 112.048 -177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.6 OUTLIER -98.95 93.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.002 -0.74 . . . . 1.04 109.002 177.175 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.761 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 0.7 OUTLIER -88.14 165.68 14.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.303 -0.862 . . . . 0.89 110.995 -175.281 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.686 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -143.06 119.25 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.814 0.672 . . . . 1.19 112.814 -174.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.49 43.09 2.67 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.055 -0.975 . . . . 2.7 113.259 165.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.86 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -123.64 -35.29 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.753 -0.379 . . . . 2.81 111.213 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 73.96 -48.2 0.66 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.607 0.763 . . . . 3.93 111.171 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -85.2 27.63 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 2.09 110.349 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.86 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 2.0 mp0 -60.23 -35.94 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.759 -0.655 . . . . 3.31 110.664 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.21 -27.43 69.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.62 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -73.87 -38.4 64.44 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.099 -0.334 . . . . 2.29 110.099 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.686 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 3.0 mp0 -68.52 -30.07 68.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 119.742 -0.783 . . . . 2.65 109.496 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.417 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -62.49 -29.5 70.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.275 0.559 . . . . 4.05 110.214 172.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 34.7 m -75.17 -29.32 60.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.034 0.445 . . . . 1.65 109.903 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.1 mp -71.2 -53.7 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 1.88 111.633 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.16 -37.61 38.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.627 0.251 . . . . 3.47 110.926 -179.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 m 54.28 52.08 13.2 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.355 0.872 . . . . 1.35 113.355 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -147.6 20.38 1.49 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.95 -1.119 . . . . 1.02 112.758 175.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.662 ' HG2' HG21 ' A' ' 887' ' ' THR . 2.4 mmt -97.26 -116.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.996 0.427 . . . . 2.01 111.408 -174.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 919' ' ' MET . 2.0 t70 172.51 -51.68 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 108.276 -1.009 . . . . 1.26 108.276 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 157.3 44.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.358 -0.837 . . . . 1.26 110.672 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 118.99 21.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 1.13 110.633 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.21 -174.28 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.69 110.1 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.7 OUTLIER -110.5 142.61 42.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.504 -0.317 . . . . 0.89 110.786 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.686 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 14.7 tttp -46.93 -43.83 43.78 Favored Pre-proline 0 N--CA 1.472 0.648 0 N-CA-C 113.758 1.021 . . . . 1.11 113.758 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 35.9 Cg_endo -67.3 59.34 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.849 1.699 . . . . 1.01 112.635 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.65 152.91 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.799 -0.637 . . . . 1.36 110.334 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.3 171.3 10.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.628 -0.26 . . . . 0.92 110.456 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.631 ' HA ' ' HG2' ' A' ' 843' ' ' GLN . 0.1 OUTLIER -52.63 -45.75 66.78 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.41 0.444 . . . . 0.92 111.429 179.127 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.44 -47.79 74.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.448 -0.342 . . . . 1.85 110.695 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.61 -44.66 99.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.913 -0.585 . . . . 0.93 111.275 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.66 HG21 ' HB3' ' A' ' 843' ' ' GLN . 1.9 tt -67.6 -35.97 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.518 -0.31 . . . . 1.18 110.675 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -67.8 -35.24 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 1.9 110.435 178.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.59 -51.01 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.995 -0.548 . . . . 2.25 110.509 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.0 m -62.47 -40.12 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.62 111.095 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.631 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.5 OUTLIER -59.65 -54.9 41.0 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.86 110.513 176.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 54.2 m -61.33 -46.0 92.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.512 -0.767 . . . . 0.87 111.722 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -39.47 94.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.024 0.44 . . . . 1.42 111.449 -177.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -81.9 -31.55 31.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.979 -0.288 . . . . 1.59 111.514 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.39 95.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.444 -0.344 . . . . 0.61 110.414 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 945' ' ' LYS . 0.5 OUTLIER -69.61 -33.97 73.42 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.163 -0.31 . . . . 1.87 110.163 178.141 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.588 ' HA ' ' HE2' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -63.48 -47.49 81.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.328 -0.396 . . . . 3.11 110.61 -179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 29.7 m -72.4 -30.24 34.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.942 -0.303 . . . . 0.75 110.413 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -48.57 78.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 3.58 110.768 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.588 ' HE2' ' HA ' ' A' ' 942' ' ' ARG . 0.7 OUTLIER -78.17 -16.7 57.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.623 -0.262 . . . . 2.78 111.359 -178.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.5 m -79.92 -44.27 20.68 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.823 -0.351 . . . . 1.34 110.808 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -74.52 -47.81 30.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.915 0.388 . . . . 3.53 110.59 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.88 176.98 7.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.087 -0.506 . . . . 2.64 110.472 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.805 -0.616 . . . . 5.09 110.462 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.118 0.485 . . . . 7.01 110.45 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -73.96 163.77 27.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 5.35 110.51 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.72 126.07 66.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.306 0.574 . . . . 5.29 110.753 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 40.9 m -116.42 92.67 3.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.802 -0.635 . . . . 4.72 109.484 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.04 150.31 48.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.724 -0.671 . . . . 4.74 110.566 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -63.41 -65.7 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.374 -0.602 . . . . 4.86 109.374 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 824' ' ' ASP . 0.5 OUTLIER 179.23 -91.95 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 5.08 108.513 177.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 823' ' ' ASP . 4.8 t70 173.76 -72.22 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.484 -0.78 . . . . 3.99 109.713 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 126.2 14.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.829 -0.623 . . . . 1.9 110.431 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -91.7 121.77 33.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.055 -0.521 . . . . 1.93 109.644 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.611 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.1 mm -117.23 141.06 37.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.47 110.637 -177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.599 ' O ' ' HG ' ' A' ' 873' ' ' LEU . 0.3 OUTLIER -98.61 115.25 28.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.055 -0.521 . . . . 1.37 109.728 176.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.6 m -111.09 103.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.704 0.764 . . . . 1.06 110.735 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.799 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.8 t -104.4 141.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.344 -0.844 . . . . 1.07 109.864 178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 9.4 t70 -158.05 127.08 5.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.835 0.35 . . . . 1.3 110.207 169.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -81.25 9.42 7.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.874 -0.603 . . . . 2.03 112.516 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 834' ' ' PRO . 2.7 m170 -133.89 127.14 19.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 O-C-N 122.089 -0.382 . . . . 2.12 110.345 173.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 833' ' ' HIS . 62.2 Cg_exo -52.17 -43.01 56.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.763 2.975 . . . . 1.12 114.263 -172.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 835' ' ' ILE . 0.2 OUTLIER -64.82 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.084 -0.246 . . . . 2.26 111.122 -175.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.4 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 3.2 t30 -83.18 -29.79 28.31 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.455 -0.498 . . . . 1.83 110.75 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -59.23 -42.54 91.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.49 -0.559 . . . . 2.78 109.49 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -61.51 -50.28 73.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.281 -0.872 . . . . 2.75 110.303 176.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.515 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.2 OUTLIER -70.45 -33.21 71.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.887 -0.597 . . . . 1.14 111.589 -172.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 13.0 tp -70.09 -37.46 75.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.787 -0.642 . . . . 1.43 109.97 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.82 65.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.164 -0.471 . . . . 0.6 110.337 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -48.48 79.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 1.34 109.458 175.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.861 ' HG3' HD23 ' A' ' 929' ' ' LEU . 1.3 mp0 -59.95 -50.2 74.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.064 -0.971 . . . . 1.85 111.173 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.6 tp -63.55 -35.87 81.9 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.017 0.437 . . . . 1.24 111.017 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.5 -31.44 78.74 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.097 -0.573 . . . . 0.52 111.706 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 14.7 m -68.52 -28.11 66.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.7 110.265 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -39.73 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 1.56 109.576 172.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 96.98 20.32 24.04 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.551 -0.75 . . . . 0.62 111.434 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -100.13 156.69 17.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 1.22 111.049 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.35 124.59 23.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.832 -0.622 . . . . 2.38 110.584 -176.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -110.44 103.54 12.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.978 -0.555 . . . . 0.94 111.212 -175.413 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.436 ' O ' HD23 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -92.29 115.78 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 1.44 108.897 175.208 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.09 142.21 27.93 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.207 0.527 . . . . 0.62 112.381 -171.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -156.32 168.35 27.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.011 -0.995 . . . . 0.47 108.5 175.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.609 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 11.7 p-10 -151.11 73.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 1.9 112.189 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.888 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 30.2 t0 164.02 157.56 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.825 -1.08 . . . . 1.45 109.312 173.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -69.33 -44.11 67.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.768 -0.73 . . . . 0.58 111.298 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.82 -28.54 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 0.95 110.685 176.395 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.888 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 15.6 t0 -56.67 -38.5 72.3 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.012 0.434 . . . . 0.84 110.05 173.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.48 -34.96 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.76 -0.654 . . . . 0.51 110.837 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.536 ' CD2' HG12 ' A' ' 890' ' ' ILE . 1.3 mm? -57.77 -50.32 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 1.85 110.724 177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -60.86 -50.44 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.543 -0.753 . . . . 1.72 111.244 -177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.437 HG13 HD11 ' A' ' 828' ' ' LEU . 14.6 p -67.35 -32.32 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.554 -0.294 . . . . 0.89 111.29 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.441 HD22 HD21 ' A' ' 895' ' ' LEU . 0.7 OUTLIER -66.79 -33.31 75.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 1.66 110.914 178.143 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 7.3 m -79.89 -27.61 39.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 0.82 111.197 -177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 -0.62 28.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.059 0.392 . . . . 3.46 112.059 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -160.35 137.71 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.318 -0.253 . . . . 1.86 110.318 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -89.65 130.41 35.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.214 0.531 . . . . 3.12 111.222 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.552 HD13 HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -130.32 145.94 34.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 1.06 109.35 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -85.58 -55.52 3.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.984 0.421 . . . . 1.64 110.699 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 827' ' ' ILE . 24.8 mt -106.96 121.42 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.168 -0.469 . . . . 1.03 110.067 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 899' ' ' VAL . 87.0 t -115.28 128.99 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.418 -0.355 . . . . 0.67 110.929 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 828' ' ' LEU . 1.1 pp -136.53 137.85 40.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.842 0.353 . . . . 0.87 110.295 174.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.799 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -125.62 117.67 24.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.232 0.539 . . . . 0.73 110.216 179.722 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.727 ' HB2' ' O ' ' A' ' 830' ' ' VAL . 0.6 OUTLIER -92.32 106.3 18.33 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.43 -0.805 . . . . 1.34 111.186 -177.389 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.08 10.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.833 -0.621 . . . . 1.29 109.571 176.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.08 28.06 4.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.294 -0.412 . . . . 2.55 111.03 -172.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -165.46 124.92 1.21 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.066 -0.515 . . . . 3.66 110.821 -176.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.3 131.34 40.4 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.612 2.208 . . . . 3.48 110.618 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.81 164.35 24.28 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.919 -0.312 . . . . 4.87 111.263 -173.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -0.77 56.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.552 0.692 . . . . 5.58 109.536 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.62 17.97 22.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.041 -0.982 . . . . 4.99 109.474 175.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -65.64 112.56 5.06 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.465 -0.789 . . . . 3.04 111.648 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.722 ' HB3' ' O ' ' A' ' 883' ' ' GLY . 1.0 OUTLIER 123.95 -30.96 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.055 1.742 . . . . 2.84 108.501 -174.689 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.538 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -80.71 -28.23 36.72 Favored 'General case' 0 N--CA 1.416 -2.137 0 C-N-CA 117.817 -1.553 . . . . 3.36 113.795 -173.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -58.48 -47.77 82.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.103 0.954 . . . . 2.34 109.274 -167.24 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.96 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 31.7 m -81.4 -24.79 36.71 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.366 -1.288 . . . . 1.28 110.053 178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.802 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 25.4 tp60 -54.52 -40.53 68.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.598 -0.519 . . . . 2.17 109.598 174.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -36.52 69.11 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.995 -0.548 . . . . 2.36 110.491 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.667 HG13 ' HA ' ' A' ' 887' ' ' THR . 4.0 mt -54.82 -50.33 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.136 0.493 . . . . 1.71 111.036 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 891' ' ' ARG . 0.0 OUTLIER -71.65 -24.59 61.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 2.24 111.115 -178.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.09 -31.83 71.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 2.62 110.744 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -14.64 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 1.91 110.215 177.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 97.44 31.88 6.59 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.675 -0.774 . . . . 1.12 112.639 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.441 HD21 HD22 ' A' ' 864' ' ' LEU . 0.1 OUTLIER -71.07 142.22 50.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.945 0.402 . . . . 2.89 110.572 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 10.4 t -147.96 38.74 0.91 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.894 0.854 . . . . 2.49 109.76 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.56 161.59 54.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.16 -0.927 . . . . 1.4 109.433 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.515 ' HB2' ' CE2' ' A' ' 939' ' ' TYR . 29.1 Cg_endo -62.33 113.81 2.08 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 122.784 2.323 . . . . 0.73 113.203 -176.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.805 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 61.3 t -113.85 125.23 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.64 110.598 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' A' ' 873' ' ' LEU . 0.6 OUTLIER -101.45 126.33 55.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.794 -0.639 . . . . 0.64 109.973 177.598 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -110.75 110.49 2.81 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.689 -0.767 . . . . 0.48 111.792 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 923' ' ' LEU . 61.1 t -92.09 117.4 35.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.684 -0.487 . . . . 1.04 109.684 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 909' ' ' GLU . 13.2 p -107.19 158.98 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.89 111.434 -171.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -118.77 103.99 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.501 -0.318 . . . . 1.19 111.084 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.04 32.39 18.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.62 -0.718 . . . . 2.7 112.426 175.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -93.7 92.84 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.177 -0.675 . . . . 2.81 109.177 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.51 14.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.908 0.707 . . . . 3.93 112.908 -171.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -144.6 25.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.288 0.566 . . . . 2.09 110.306 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.603 ' HB2' HG21 ' A' ' 903' ' ' THR . 0.0 OUTLIER -67.73 -28.8 67.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 3.31 111.231 -175.265 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.68 -29.64 70.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.115 0.483 . . . . 3.58 109.871 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -40.8 67.29 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.972 -0.558 . . . . 2.29 110.73 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.726 ' O ' ' HG3' ' A' ' 916' ' ' GLU . 5.3 mp0 -70.65 -34.28 71.88 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 119.09 -1.044 . . . . 2.65 109.362 175.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -51.32 -40.34 58.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.171 0.51 . . . . 4.05 110.157 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 14.1 m -76.56 -30.72 57.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.817 -0.629 . . . . 1.65 111.655 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 0.5 OUTLIER -71.4 -53.18 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.082 0.401 . . . . 1.88 112.082 -178.195 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.96 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.1 OUTLIER -67.73 -34.34 76.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.788 0.435 . . . . 3.47 111.128 176.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.81 51.19 17.51 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.367 1.247 . . . . 1.35 114.367 172.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.42 23.87 1.53 Allowed Glycine 0 C--N 1.32 -0.316 0 C-N-CA 120.026 -1.083 . . . . 1.02 111.742 175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.805 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.7 ttm -103.97 -125.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.621 0.248 . . . . 2.01 110.978 -174.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 919' ' ' MET . 6.4 t70 175.47 -54.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.865 -0.791 . . . . 1.26 108.865 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.03 152.19 35.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.35 -0.841 . . . . 1.26 110.203 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 6.6 m -116.42 145.01 43.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 1.13 110.745 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.635 ' HB2' HG22 ' A' ' 902' ' ' VAL . 19.4 mt -126.07 -179.56 4.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.384 -0.371 . . . . 0.69 110.108 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 27.5 m -108.27 148.5 29.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.828 -0.434 . . . . 0.89 109.828 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.507 ' HD2' HG12 ' A' ' 902' ' ' VAL . 2.6 tptp -50.49 -44.06 81.85 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 114.873 1.434 . . . . 1.11 114.873 -170.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -69.05 57.43 1.15 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.182 1.921 . . . . 1.01 113.541 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.53 109.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.172 0.511 . . . . 1.36 110.683 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -179.21 4.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.867 -0.606 . . . . 0.92 110.731 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.0 OUTLIER -57.28 -43.86 83.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.632 0.254 . . . . 0.92 111.185 -177.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.31 -44.72 90.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 1.85 110.412 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.74 -47.65 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.712 -0.677 . . . . 0.93 110.753 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 843' ' ' GLN . 1.6 tt -67.49 -29.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.005 -0.278 . . . . 1.18 111.005 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -48.43 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.477 0.177 . . . . 1.9 111.477 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -38.7 92.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.464 -0.495 . . . . 2.25 110.541 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 939' ' ' TYR . 1.5 m -67.39 -44.46 78.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.352 -0.386 . . . . 0.62 110.858 177.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.2 OUTLIER -63.35 -50.98 67.84 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.388 -0.369 . . . . 0.86 111.347 -177.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 53.9 m -62.37 -41.08 98.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.693 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -42.7 66.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.93 0.395 . . . . 1.42 110.917 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 898' ' ' PRO . 0.6 OUTLIER -65.62 -49.05 70.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 1.59 110.807 -178.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -58.76 -41.33 86.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.61 111.497 -177.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 0.0 OUTLIER -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 1.87 110.543 179.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.418 HH22 ' CG ' ' A' ' 920' ' ' ASP . 0.0 OUTLIER -73.8 -43.21 59.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.501 -0.318 . . . . 3.11 110.935 -176.022 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 940' ' ' ALA . 33.7 m -71.54 -29.8 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.615 0.245 . . . . 0.75 110.886 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -64.1 -43.25 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.954 -0.387 . . . . 3.58 109.954 174.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 941' ' ' GLU . 7.4 mttm -74.23 -19.58 60.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 2.78 110.957 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 20.5 m -82.81 -30.3 28.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 1.34 111.293 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 947' ' ' ARG . 0.4 OUTLIER -88.15 -45.82 9.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 3.53 110.696 -178.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 13.3 t70 71.62 -57.76 0.6 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.142 0.901 . . . . 2.64 111.868 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.681 -0.676 . . . . 5.09 110.602 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 1.6 pttt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.542 0.21 . . . . 7.01 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -148.75 -175.28 4.88 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.784 -0.189 . . . . 5.35 110.585 -176.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.41 120.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.043 -0.725 . . . . 5.29 109.043 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . 0.483 ' HB2' ' H ' ' A' ' 821' ' ' ASP . 0.7 OUTLIER -99.48 -101.64 0.23 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.185 0.809 . . . . 4.72 113.185 -166.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . 0.483 ' H ' ' HB2' ' A' ' 820' ' ' SER . 0.5 OUTLIER -105.72 137.55 43.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.328 0.862 . . . . 4.74 113.328 -161.468 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -147.96 127.29 13.05 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 114.955 -1.02 . . . . 4.86 109.321 169.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -129.41 88.39 2.69 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.391 -0.596 . . . . 5.08 109.391 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -81.96 64.6 6.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.347 -0.842 . . . . 3.99 108.89 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 2.0 mtp -74.05 121.92 21.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.805 -1.089 . . . . 1.9 109.707 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.514 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 2.4 mtm -87.33 117.99 26.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.667 -0.697 . . . . 1.93 110.842 -174.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . . . . . . . . . 1.7 mm -118.52 129.56 74.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.011 -0.54 . . . . 0.47 109.881 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.545 ' HG ' HD13 ' A' ' 869' ' ' ILE . 0.4 OUTLIER -94.79 116.5 28.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.93 -0.577 . . . . 1.37 110.934 -178.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 3.9 m -95.29 95.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 1.06 109.365 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.546 HG12 ' H ' ' A' ' 856' ' ' ASP . 1.3 t -106.45 83.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.783 -0.644 . . . . 1.07 111.178 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.801 ' HB2' ' HB3' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -114.37 153.65 29.45 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 121.1 -0.24 . . . . 1.3 111.035 -174.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.26 -19.6 22.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.518 0.562 . . . . 2.03 112.518 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.0 OUTLIER -107.42 105.25 55.41 Favored Pre-proline 0 C--O 1.221 -0.443 0 O-C-N 122.396 -0.19 . . . . 2.12 110.785 -174.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 1.9 Cg_endo -42.41 -40.07 6.93 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.816 3.011 . . . . 1.12 114.241 -174.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.419 ' H ' HG22 ' A' ' 835' ' ' ILE . 1.3 tt -62.94 -41.02 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.125 0.488 . . . . 2.26 111.144 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -32.26 62.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.177 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.421 ' HD3' ' OD1' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -56.49 -43.69 79.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.132 0.491 . . . . 2.78 110.015 173.6 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.493 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -57.98 -51.01 71.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.497 -0.774 . . . . 2.75 110.509 178.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.493 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -74.63 -32.85 62.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.47 -0.786 . . . . 1.14 111.713 -171.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 37.8 tp -73.29 -42.78 62.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.086 -0.506 . . . . 1.43 110.386 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.77 -24.56 63.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.181 0.515 . . . . 0.6 110.085 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.03 -49.76 66.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.649 -0.705 . . . . 1.34 109.902 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.663 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -60.9 -37.24 81.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.834 -0.621 . . . . 1.85 110.218 176.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -59.69 -42.71 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.624 -0.716 . . . . 1.24 110.336 176.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.79 75.73 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.674 -0.694 . . . . 0.52 112.354 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 4.2 m -61.82 -40.84 96.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.46 0.171 . . . . 0.7 110.91 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.903 HD13 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.69 -39.87 88.3 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.492 -0.558 . . . . 1.56 109.492 175.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 98.5 38.59 3.92 Favored Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 115.66 -0.7 . . . . 0.62 112.396 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -113.25 -176.31 2.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.997 -0.371 . . . . 1.22 109.997 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.2 OUTLIER -84.99 108.29 17.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.627 -0.26 . . . . 2.38 110.899 -176.064 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 116.43 27.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.558 -0.292 . . . . 0.94 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.438 ' O ' HD23 ' A' ' 828' ' ' LEU . 2.2 mptp? -112.13 132.18 55.02 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.134 -0.691 . . . . 1.44 109.134 175.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.05 138.89 33.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.352 0.501 . . . . 0.62 112.352 -171.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 830' ' ' VAL . . . -158.66 163.86 36.49 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.993 -0.743 . . . . 0.47 108.993 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.654 ' O ' ' HB3' ' A' ' 856' ' ' ASP . 17.4 p-10 -149.9 72.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.706 -0.797 . . . . 1.9 112.989 -176.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.654 ' HB3' ' O ' ' A' ' 855' ' ' ASN . 0.0 OUTLIER 160.55 161.19 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.646 1.179 . . . . 1.45 109.505 166.466 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -63.2 -43.31 98.78 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.041 -0.6 . . . . 0.58 113.366 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.478 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 3.9 m -73.95 -31.21 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.465 . . . . 0.95 110.852 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.429 ' HB2' ' OD2' ' A' ' 856' ' ' ASP . 5.1 t0 -59.49 -39.17 82.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.84 110.578 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB2' HG11 ' A' ' 830' ' ' VAL . . . -59.13 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 0.51 111.486 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.573 ' HB3' HG12 ' A' ' 890' ' ' ILE . 1.5 pp -72.69 -35.02 67.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 1.85 111.065 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.3 -48.11 76.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.168 0.508 . . . . 1.72 110.762 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.456 ' CG1' HD11 ' A' ' 828' ' ' LEU . 4.7 p -70.82 -31.05 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.128 -0.487 . . . . 0.89 110.692 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -66.48 -35.74 81.03 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.933 0.345 . . . . 1.66 111.933 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -39.15 66.08 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.87 -0.332 . . . . 0.82 110.186 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -67.27 -49.7 63.31 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.117 0.484 . . . . 3.46 110.874 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -132.25 128.4 37.77 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.134 -0.691 . . . . 1.86 109.134 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -82.18 139.83 34.08 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.177 0.513 . . . . 3.12 111.437 -172.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.545 HD13 ' HG ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -125.19 155.08 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.268 -0.878 . . . . 1.06 109.133 -177.736 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -79.42 -53.81 6.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 1.64 111.356 -175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 1.2 mm -132.22 138.62 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.372 -0.376 . . . . 1.03 110.621 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.672 HG23 HD11 ' A' ' 897' ' ' LEU . 16.9 t -116.92 135.19 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 121.222 -0.191 . . . . 0.67 110.588 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.501 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -124.97 108.52 11.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 0.87 110.203 175.11 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.402 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.7 OUTLIER -91.45 99.78 12.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.73 110.32 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HB3' ' HB2' ' A' ' 831' ' ' ASP . 32.9 t0 -90.05 105.63 17.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.438 -0.801 . . . . 1.34 110.122 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.09 119.45 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.315 0.579 . . . . 1.29 112.019 -173.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.508 ' HB3' ' HD2' ' A' ' 925' ' ' LYS . 0.6 OUTLIER -109.5 -13.07 14.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.546 -0.752 . . . . 2.55 110.345 174.278 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 14.3 tpt -69.28 112.95 13.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.836 -0.62 . . . . 3.66 111.151 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -80.99 77.08 4.19 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.697 2.265 . . . . 3.48 111.688 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -88.13 -179.35 6.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.285 -0.87 . . . . 4.87 109.985 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.35 2.61 27.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.279 0.562 . . . . 5.58 110.172 176.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -113.01 -136.32 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.574 -0.739 . . . . 4.99 109.791 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 103.15 5.99 45.89 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.142 -0.783 . . . . 3.04 111.142 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.802 ' HB3' ' HG2' ' A' ' 912' ' ' GLN . 2.8 p90 -133.9 -56.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.089 0.947 . . . . 2.84 110.712 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.614 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.46 -26.4 63.32 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.031 -0.986 . . . . 3.36 111.492 -162.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.522 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.0 OUTLIER -66.06 -34.79 78.88 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.802 0.81 . . . . 2.34 109.104 -172.149 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.702 ' HA ' HD12 ' A' ' 890' ' ' ILE . 5.8 m -79.77 -27.11 40.47 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.578 -1.192 . . . . 1.28 110.078 178.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.469 ' OE1' ' HD3' ' A' ' 885' ' ' ARG . 2.0 tt0 -61.1 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.461 -0.57 . . . . 2.17 109.461 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.51 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.5 OUTLIER -60.36 -40.99 92.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.116 -0.947 . . . . 2.36 110.361 174.342 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 887' ' ' THR . 74.6 mt -56.61 -49.59 77.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.979 -0.555 . . . . 1.71 110.745 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.897 -0.592 . . . . 2.24 110.782 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.498 ' HG2' HH11 ' A' ' 889' ' ' ARG . 2.9 tp60 -62.23 -35.22 78.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 2.62 110.521 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.24 -26.1 63.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 1.91 110.965 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 69.83 61.04 4.57 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.941 -0.647 . . . . 1.12 111.509 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.707 HD11 HD22 ' A' ' 897' ' ' LEU . 0.0 OUTLIER -89.53 145.88 24.98 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.838 0.351 . . . . 2.89 110.522 -175.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.47 68.49 1.38 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.49 111.682 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 895' ' ' LEU . 0.0 OUTLIER -164.68 146.26 6.67 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.151 -0.477 . . . . 1.4 110.602 -175.738 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -81.84 133.99 8.23 Favored 'Trans proline' 0 C--O 1.241 0.669 0 C-N-CA 122.671 2.247 . . . . 0.73 112.156 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.836 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 3.3 t -110.56 114.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.64 110.445 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 1.032 HG23 ' HB2' ' A' ' 921' ' ' SER . 3.4 mt -98.55 106.95 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.65 -0.704 . . . . 0.64 110.073 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . 0.42 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -83.93 103.87 2.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.685 -0.769 . . . . 0.48 112.57 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -81.43 94.24 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.737 -0.838 . . . . 1.04 108.737 173.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.443 ' HB ' ' HG2' ' A' ' 909' ' ' GLU . 1.8 p -102.28 152.71 20.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.426 0.528 . . . . 0.89 112.426 -170.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 925' ' ' LYS . . . -135.69 103.15 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 1.19 110.563 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 44.56 72.3 0.21 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.946 -1.024 . . . . 2.7 112.869 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.876 ' HB3' ' HG3' ' A' ' 909' ' ' GLU . . . -105.15 28.76 6.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.943 -0.572 . . . . 2.81 110.123 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 906' ' ' ALA . 11.4 mt 72.72 -67.8 0.25 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.189 -0.914 . . . . 3.93 111.981 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -137.4 67.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.971 0.415 . . . . 2.09 110.606 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.876 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 31.7 mp0 -58.96 -49.64 77.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.742 -0.663 . . . . 3.31 111.795 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -26.62 67.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.768 0.318 . . . . 3.58 110.605 -176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.24 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.3 -0.409 . . . . 2.29 110.32 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.802 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 0.2 OUTLIER -74.52 -37.3 63.13 Favored 'General case' 0 C--O 1.215 -0.762 0 C-N-CA 119.476 -0.89 . . . . 2.65 109.261 176.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.534 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -52.81 -40.34 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.421 0.451 . . . . 4.05 110.75 177.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.12 -29.39 54.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.399 -0.364 . . . . 1.65 111.245 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 915' ' ' LEU . 0.7 OUTLIER -70.21 -52.16 25.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 1.88 111.251 -177.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.4 -38.39 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 3.47 110.59 177.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.7 m 52.74 50.58 17.79 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.458 -0.792 . . . . 1.35 112.691 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -131.15 -6.06 3.62 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.231 -0.985 . . . . 1.02 112.852 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.836 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 3.5 mtm -85.64 -98.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.408 0.104 . . . . 2.01 110.87 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' A' ' 919' ' ' MET . 4.4 t70 133.01 -55.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.227 1.811 . . . . 1.26 110.368 172.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 1.032 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -104.3 156.64 17.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.675 -0.239 . . . . 1.26 110.881 -177.131 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.38 135.03 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.88 0.372 . . . . 1.13 111.048 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.435 ' HB2' HG13 ' A' ' 902' ' ' VAL . 0.4 OUTLIER -132.82 -175.32 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.763 -0.458 . . . . 0.69 109.763 177.016 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 927' ' ' VAL . 0.3 OUTLIER -108.63 140.24 42.28 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.59 -0.522 . . . . 0.89 109.59 176.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.508 ' HD2' ' HB3' ' A' ' 877' ' ' ASN . 5.4 ttmm -46.52 -48.45 47.49 Favored Pre-proline 0 CA--C 1.541 0.616 0 N-CA-C 112.907 0.706 . . . . 1.11 112.907 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 51.0 Cg_endo -70.06 69.54 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.748 1.632 . . . . 1.01 112.487 175.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 924' ' ' SER . 0.1 OUTLIER -87.52 169.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.36 110.435 175.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.51 172.82 11.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.357 -0.383 . . . . 0.92 110.491 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.663 HD23 ' HG3' ' A' ' 843' ' ' GLN . 0.4 OUTLIER -61.31 -46.85 88.58 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.173 0.295 . . . . 0.92 111.685 -174.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 933' ' ' LYS . 0.2 OUTLIER -75.52 -30.39 59.77 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.811 -0.356 . . . . 1.85 111.103 -177.188 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.99 -44.91 88.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 0.93 109.895 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.537 HG23 HD21 ' A' ' 847' ' ' LEU . 2.5 tt -69.98 -24.45 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 1.18 110.225 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 930' ' ' ASP . 0.0 OUTLIER -71.67 -48.2 49.17 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.24 -0.436 . . . . 1.9 111.295 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.431 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -67.32 -36.5 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.627 -0.429 . . . . 2.25 110.263 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 93.3 m -65.5 -49.55 68.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.743 0.306 . . . . 0.62 111.006 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.903 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.43 -49.66 76.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.86 110.568 179.281 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 60.6 m -65.61 -41.89 92.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.586 -0.734 . . . . 0.87 111.844 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -47.12 87.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.87 0.367 . . . . 1.42 110.998 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 943' ' ' VAL . 0.7 OUTLIER -73.19 -30.0 63.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 1.59 110.977 -178.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.76 93.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.337 -0.392 . . . . 0.61 110.625 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -64.66 -36.7 85.12 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.802 -0.444 . . . . 1.87 109.802 176.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 0.0 OUTLIER -63.5 -48.08 79.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.02 -0.536 . . . . 3.11 111.153 -177.096 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.8 m -75.37 -31.47 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.474 -0.33 . . . . 0.75 111.223 -178.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -75.69 -37.3 59.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.997 -0.281 . . . . 3.58 111.411 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -30.55 63.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 2.78 110.601 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 17.9 m -79.15 -21.45 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 1.34 110.615 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -86.56 -56.39 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 3.53 110.936 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.65 109.78 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.97 -0.559 . . . . 2.64 110.809 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.469 -0.776 . . . . 5.09 110.245 -179.749 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.969 -0.382 . . . . 7.01 109.969 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.91 16.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.629 -0.26 . . . . 5.35 110.46 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 2.9 p -88.51 119.11 35.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.169 0.509 . . . . 5.29 110.701 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.37 73.03 10.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.054 -0.521 . . . . 4.72 110.35 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -109.35 162.32 14.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.882 -0.599 . . . . 4.74 110.502 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -137.4 -11.83 1.62 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 4.86 110.932 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 17.0 t0 57.54 60.35 2.89 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.554 -0.906 . . . . 5.08 108.554 -168.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.01 65.6 2.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.826 -1.079 . . . . 3.99 111.618 -172.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.05 126.14 30.44 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.808 . . . . 1.9 109.416 173.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.603 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 27.3 mtm -89.98 115.65 27.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.994 0.426 . . . . 1.93 110.9 -174.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.957 ' HB ' HD21 ' A' ' 844' ' ' LEU . 0.9 OUTLIER -109.17 134.98 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.147 0.499 . . . . 0.47 110.569 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.64 ' HB2' HG21 ' A' ' 869' ' ' ILE . 0.7 OUTLIER -98.45 105.41 17.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.781 -0.645 . . . . 1.37 110.333 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.694 HG23 HD23 ' A' ' 840' ' ' LEU . 0.2 OUTLIER -92.12 104.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.572 0.701 . . . . 1.06 109.447 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.861 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 11.4 t -113.35 133.51 59.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.545 -0.752 . . . . 1.07 109.935 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -159.03 138.97 11.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.956 -0.387 . . . . 1.3 109.956 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -81.19 -7.51 59.58 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.171 0.804 . . . . 2.03 113.171 -175.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -122.82 96.57 45.08 Favored Pre-proline 0 N--CA 1.467 0.407 0 O-C-N 121.431 -0.793 . . . . 2.12 111.405 -174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -30.74 -52.0 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.769 1 C-N-CA 125.418 4.079 . . . . 1.12 116.305 -170.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.4 -41.94 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.155 0.503 . . . . 2.26 111.6 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.519 HD22 ' HA ' ' A' ' 836' ' ' ASN . 0.0 OUTLIER -78.52 -32.44 48.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.067 -0.346 . . . . 1.83 110.067 -178.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 0.0 OUTLIER -57.97 -47.22 83.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 2.78 110.796 175.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -36.83 83.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.438 -0.346 . . . . 2.75 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -48.11 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 1.14 110.526 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.694 HD23 HG23 ' A' ' 829' ' ' VAL . 17.2 tp -61.42 -40.23 93.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.728 -0.669 . . . . 1.43 111.003 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.77 73.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.6 110.747 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.96 -49.09 71.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.983 -0.553 . . . . 1.34 110.244 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -39.55 72.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.608 0.567 . . . . 1.85 110.488 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.957 HD21 ' HB ' ' A' ' 827' ' ' ILE . 6.5 tp -62.38 -40.37 96.24 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.64 -0.709 . . . . 1.24 110.686 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.84 79.56 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.925 -0.655 . . . . 0.52 112.246 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.05 -35.68 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.7 110.625 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.59 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.0 OUTLIER -66.63 -34.94 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.035 -0.53 . . . . 1.56 110.847 176.046 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 99.25 20.11 18.98 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.836 -0.697 . . . . 0.62 112.287 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.71 165.99 10.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.385 -0.228 . . . . 1.22 110.385 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 0.9 OUTLIER -70.01 131.28 44.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 2.38 110.963 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.12 104.6 10.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.27 -0.423 . . . . 0.94 111.513 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.435 ' O ' HD23 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -105.71 118.82 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.373 -0.603 . . . . 1.44 109.373 175.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.28 132.95 35.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.187 0.44 . . . . 0.62 112.187 -171.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.69 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -142.26 166.97 23.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.47 109.768 178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.595 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 17.4 p-10 -147.02 73.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.245 0.545 . . . . 1.9 111.763 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.595 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.3 t0 163.72 164.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.908 -1.042 . . . . 1.45 109.003 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -76.42 -46.11 12.87 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.175 -1.012 . . . . 0.58 110.604 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 861' ' ' LEU . 7.2 m -66.56 -29.01 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.002 0.429 . . . . 0.95 110.475 177.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 34.2 t0 -56.03 -42.89 77.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.67 -0.695 . . . . 0.84 110.369 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -64.2 -36.27 83.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.755 -0.657 . . . . 0.51 110.593 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.551 ' CD2' ' HG3' ' A' ' 889' ' ' ARG . 3.0 mp -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 1.85 110.624 177.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.86 -55.55 33.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.359 -0.837 . . . . 1.72 110.791 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.576 ' CG1' HD11 ' A' ' 828' ' ' LEU . 9.6 p -66.61 -31.87 55.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 115.895 -0.593 . . . . 0.89 111.122 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -62.77 -37.37 86.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.072 0.463 . . . . 1.66 110.818 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.3 m -72.93 -26.81 61.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.781 -0.645 . . . . 0.82 111.151 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -82.52 -48.06 11.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.984 0.421 . . . . 3.46 110.919 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -143.57 135.3 26.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.95 -0.568 . . . . 1.86 109.913 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.85 111.85 8.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.995 0.426 . . . . 3.12 111.767 -176.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.64 HG21 ' HB2' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -88.13 151.07 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 1.06 109.326 174.187 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 12.2 m-20 -80.85 -54.88 5.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.537 -0.301 . . . . 1.64 111.774 -173.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 136.91 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.598 -0.273 . . . . 1.03 110.281 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 897' ' ' LEU . 52.9 t -108.95 129.93 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.654 -0.248 . . . . 0.67 110.489 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -121.41 99.18 6.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.664 -0.495 . . . . 0.87 109.664 172.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.861 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.0 OUTLIER -104.18 109.61 21.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.3 -0.409 . . . . 0.73 110.87 -176.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.584 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 35.4 t0 -95.29 117.98 31.24 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.596 0.712 . . . . 1.34 110.521 177.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.6 91.94 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.29 111.401 -174.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -102.24 42.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.57 0.7 . . . . 2.55 109.329 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 8.9 tpt -158.36 93.15 2.02 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.116 -0.947 . . . . 3.66 109.719 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -91.42 31.02 0.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.13 2.553 . . . . 3.48 113.241 -176.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.21 -48.01 63.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 4.87 110.557 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 2.5 tpt -89.56 53.05 2.48 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.113 0.483 . . . . 5.58 110.672 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.595 ' HB3' ' CE1' ' A' ' 884' ' ' TYR . 0.5 OUTLIER 48.6 82.1 0.04 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-N 114.391 -1.277 . . . . 4.99 111.717 174.027 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' A' ' 884' ' ' TYR . . . -63.69 103.39 0.68 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.204 -0.759 . . . . 3.04 111.204 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.739 ' O ' ' HG2' ' A' ' 916' ' ' GLU . 2.8 p90 165.95 -54.91 0.0 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-O 122.842 1.306 . . . . 2.84 109.619 -174.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.75 ' HD3' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -66.94 -22.61 65.93 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.314 -0.866 . . . . 3.36 111.058 -170.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -45.97 89.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.578 0.704 . . . . 2.34 109.655 -169.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.716 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 3.8 m -73.04 -31.13 64.23 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.028 -0.987 . . . . 1.28 109.966 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.75 ' HB3' ' HD3' ' A' ' 885' ' ' ARG . 6.4 tt0 -59.98 -37.41 79.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.3 0.572 . . . . 2.17 110.27 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 861' ' ' LEU . 1.4 tpm_? -68.55 -37.78 80.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.347 -0.842 . . . . 2.36 110.382 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -37.2 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.686 0.279 . . . . 1.71 110.849 177.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.69 ' HE ' ' HB2' ' A' ' 917' ' ' SER . 0.0 OUTLIER -72.96 -41.77 64.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.94 0.4 . . . . 2.24 110.422 179.392 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 892' ' ' GLN . 1.1 tp-100 -68.3 -25.3 65.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.992 -0.549 . . . . 2.62 110.604 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -50.97 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.002 -0.545 . . . . 1.91 110.302 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 125.17 87.55 0.71 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.674 -0.774 . . . . 1.12 111.881 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 891' ' ' ARG . 0.6 OUTLIER -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 2.89 110.935 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.37 32.35 5.37 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.435 0.636 . . . . 2.49 109.898 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 872' ' ' VAL . 1.1 pt? -156.28 155.72 29.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.49 -0.777 . . . . 1.4 109.747 -174.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.81 127.98 14.47 Favored 'Trans proline' 0 C--O 1.241 0.635 0 C-N-CA 122.63 2.22 . . . . 0.73 111.97 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.916 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 57.0 t -106.47 113.62 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.559 0.695 . . . . 0.64 110.422 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 873' ' ' LEU . 7.2 mt -97.4 105.43 17.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.359 -0.837 . . . . 0.64 109.941 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . 0.471 ' HA3' ' SD ' ' A' ' 919' ' ' MET . . . -86.51 109.47 3.4 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.852 -0.69 . . . . 0.48 112.277 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 0.2 OUTLIER -89.09 128.42 41.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.451 -0.944 . . . . 1.04 108.451 174.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 924' ' ' SER . 4.7 p -144.72 162.01 37.79 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.936 -0.306 . . . . 0.89 111.036 -174.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -139.62 102.75 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.0 -0.28 . . . . 1.19 110.692 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 2.1 t30 42.54 74.24 0.12 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 124.133 0.895 . . . . 2.7 112.706 176.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 909' ' ' GLU . . . -103.2 22.39 14.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 2.81 110.169 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.71 73.72 0.47 Allowed 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.292 -0.867 . . . . 3.93 110.6 -177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 911' ' ' LYS . . . 73.17 56.61 0.11 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.75 -1.114 . . . . 2.09 111.078 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.534 ' HA ' ' OE1' ' A' ' 912' ' ' GLN . 9.0 pm0 -61.56 -31.36 71.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.547 -0.751 . . . . 3.31 110.187 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.87 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.889 -0.596 . . . . 3.58 110.02 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 0.0 OUTLIER -71.93 -34.75 69.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.116 -0.493 . . . . 2.29 110.479 179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.664 ' HG2' ' HB3' ' A' ' 884' ' ' TYR . 3.3 mp0 -67.53 -38.17 83.81 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.326 -0.95 . . . . 2.65 108.764 173.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.428 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -54.17 -32.97 56.89 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.511 0.507 . . . . 4.05 111.15 177.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -29.99 52.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 1.65 111.206 175.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 912' ' ' GLN . 22.6 mt -72.99 -53.27 11.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.976 0.361 . . . . 1.88 111.976 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.739 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -78.23 -41.28 34.78 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.993 0.368 . . . . 3.47 111.993 -178.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . 0.69 ' HB2' ' HE ' ' A' ' 891' ' ' ARG . 0.8 OUTLIER 52.18 52.07 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 114.058 1.132 . . . . 1.35 114.058 174.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -135.74 24.13 3.34 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 120.255 -0.974 . . . . 1.02 111.93 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.916 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 2.5 mtt -103.13 -120.41 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.589 0.233 . . . . 2.01 111.296 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.544 ' H ' ' HB3' ' A' ' 919' ' ' MET . 31.4 t0 162.52 -52.78 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.799 1.24 . . . . 1.26 109.073 174.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -123.26 161.03 25.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.615 -0.72 . . . . 1.26 110.501 179.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 0.5 OUTLIER -144.62 132.64 21.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.972 -0.381 . . . . 1.13 109.972 177.216 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -176.73 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.56 -0.291 . . . . 0.69 110.569 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 903' ' ' THR . 0.1 OUTLIER -101.6 149.7 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.89 109.897 178.694 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.429 ' HA ' ' OD2' ' A' ' 875' ' ' ASP . 0.0 OUTLIER -47.1 -49.81 49.41 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 113.467 0.914 . . . . 1.11 113.467 -178.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 56.6 Cg_endo -70.52 60.7 2.1 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.042 1.828 . . . . 1.01 113.825 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 924' ' ' SER . 56.0 t -79.4 102.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.991 0.424 . . . . 1.36 109.922 173.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.92 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 0.92 111.261 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -56.56 -45.99 80.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.92 111.66 -176.351 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.74 -38.73 83.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.067 0.461 . . . . 1.85 110.626 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.07 -45.79 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 0.93 110.38 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 2.1 tt -65.57 -29.75 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 1.18 110.409 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.11 88.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.384 -0.371 . . . . 1.9 110.398 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.0 -53.9 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 2.25 110.527 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -44.61 95.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.62 111.593 -178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -58.65 -59.98 4.55 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.86 111.167 -179.019 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 17.3 m -60.3 -42.32 95.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.87 111.716 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -49.05 62.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.283 . . . . 1.42 111.457 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -74.27 -29.59 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.013 -0.275 . . . . 1.59 111.324 -175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -65.66 -43.22 90.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.679 0.276 . . . . 0.61 110.29 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -72.06 -27.68 62.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 1.87 110.225 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 945' ' ' LYS . 1.2 ttt180 -65.57 -47.35 76.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 3.11 110.057 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.2 -30.27 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.429 -0.351 . . . . 0.75 110.643 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -69.66 -38.01 76.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.451 0.167 . . . . 3.58 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -75.42 -27.68 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.635 0.255 . . . . 2.78 110.711 178.123 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.0 m -72.68 -35.7 67.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.203 0.525 . . . . 1.34 110.306 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -18.6 56.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 3.53 110.554 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -69.97 81.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.912 -0.585 . . . . 2.64 110.547 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.89 0 N-CA-C 109.297 -0.631 . . . . 5.09 109.297 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 28.1 mttt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.924 0.392 . . . . 7.01 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -156.05 179.2 9.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.543 -0.54 . . . . 5.35 109.543 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 8.1 p -146.48 140.26 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.429 0.633 . . . . 5.29 111.93 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 69.3 m -154.29 148.9 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.18 -1.045 . . . . 4.72 108.18 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -170.14 -169.77 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.045 0.387 . . . . 4.74 112.045 -175.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 76.67 81.3 0.09 Allowed 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 124.395 1.078 . . . . 4.86 112.464 176.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -112.15 56.28 0.66 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 105.796 -1.927 . . . . 5.08 105.796 161.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.401 ' HB3' ' H ' ' A' ' 825' ' ' MET . 10.4 t0 -57.6 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 113.774 -1.557 . . . . 3.99 112.678 -164.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . 0.474 ' O ' ' HB2' ' A' ' 850' ' ' GLN . 1.4 tpp -136.58 136.67 39.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.363 -0.38 . . . . 1.9 110.232 -178.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 3.7 mtm -95.04 124.52 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.265 -0.425 . . . . 1.93 110.817 -177.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 936' ' ' LEU . 0.2 OUTLIER -113.88 133.33 60.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.47 109.492 176.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.533 ' CB ' HG21 ' A' ' 869' ' ' ILE . 32.1 tp -107.93 114.14 27.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.873 0.368 . . . . 1.37 110.951 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.609 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -94.17 105.3 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.9 -0.778 . . . . 1.06 108.9 174.169 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.1 OUTLIER -109.25 82.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.672 -0.695 . . . . 1.07 110.672 -177.013 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.622 ' OD2' ' HB3' ' A' ' 836' ' ' ASN . 52.8 t0 -108.5 125.63 52.01 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.43 -0.582 . . . . 1.3 109.43 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . 0.809 ' HA ' ' HB2' ' A' ' 855' ' ' ASN . 0.7 OUTLIER -53.86 -36.69 62.88 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.922 0.764 . . . . 2.03 111.506 -179.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 0.4 OUTLIER -100.52 109.15 56.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 2.12 110.67 -175.356 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 9.5 Cg_endo -52.51 -28.71 37.29 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.482 2.788 . . . . 1.12 113.597 -175.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 835' ' ' ILE . 0.9 OUTLIER -64.72 -46.7 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.141 0.496 . . . . 2.26 111.402 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.622 ' HB3' ' OD2' ' A' ' 831' ' ' ASP . 0.8 OUTLIER -83.6 -23.04 32.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.518 -0.549 . . . . 1.83 109.518 179.651 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.485 ' HD3' HG22 ' A' ' 853' ' ' THR . 2.1 ttm180 -60.7 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.405 -0.816 . . . . 2.78 110.561 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 838' ' ' ARG . 0.0 OUTLIER -68.91 -29.01 67.2 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.927 -0.309 . . . . 2.75 110.331 178.287 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 836' ' ' ASN . 2.7 mt -63.06 -51.28 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 1.14 110.47 175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 829' ' ' VAL . 14.3 tp -63.08 -36.68 84.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 1.43 110.705 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.2 -28.23 68.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.6 111.289 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.37 -41.75 63.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 1.34 110.227 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.672 ' HG3' HD23 ' A' ' 929' ' ' LEU . 2.3 mp0 -62.37 -38.45 89.62 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.469 0.652 . . . . 1.85 109.808 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -61.63 -37.54 84.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.428 -0.806 . . . . 1.24 109.955 173.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -62.47 -33.21 85.69 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.396 -0.82 . . . . 0.52 112.388 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 3.0 m -68.12 -29.8 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.7 110.482 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 936' ' ' LEU . 0.3 OUTLIER -71.28 -44.9 64.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 1.56 110.16 174.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 91.51 24.63 25.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.62 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.2 175.46 5.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.307 -0.257 . . . . 1.22 110.307 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 825' ' ' MET . 4.1 mm-40 -66.59 124.03 21.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.852 0.358 . . . . 2.38 110.473 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.72 112.73 24.44 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.941 -0.572 . . . . 0.94 111.14 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.6 127.43 55.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.469 -0.567 . . . . 1.44 109.469 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.485 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -106.34 133.8 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.338 0.495 . . . . 0.62 112.338 -174.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -158.03 -172.29 3.85 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.417 -0.586 . . . . 0.47 109.417 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.809 ' HB2' ' HA ' ' A' ' 832' ' ' ASP . 12.6 p-10 -156.53 75.28 0.85 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.902 0.704 . . . . 1.9 112.902 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.66 ' HB3' ' H ' ' A' ' 859' ' ' ASP . 5.7 t0 164.13 162.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.379 0.672 . . . . 1.45 109.498 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.949 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -82.06 -35.89 19.9 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.332 -1.107 . . . . 0.58 110.332 172.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 861' ' ' LEU . 13.1 m -73.28 -31.15 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.996 0.427 . . . . 0.95 110.117 175.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.66 ' H ' ' HB3' ' A' ' 856' ' ' ASP . 7.8 t0 -76.06 -24.53 55.12 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.679 -0.489 . . . . 0.84 109.679 175.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -65.26 -47.33 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.867 -0.606 . . . . 0.51 110.514 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 858' ' ' VAL . 1.3 pp -73.55 -26.96 61.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.749 0.309 . . . . 1.85 110.672 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.95 -55.54 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.059 0.457 . . . . 1.72 110.229 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 5.1 p -65.55 -30.98 51.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.109 -0.496 . . . . 0.89 110.526 179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 860' ' ' ALA . 0.2 OUTLIER -67.3 -32.46 73.45 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.417 -0.356 . . . . 1.66 111.195 176.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 67.2 m -66.53 -33.77 76.43 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.952 -0.388 . . . . 0.82 109.952 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 866' ' ' LYS . 0.4 OUTLIER -74.69 -57.19 4.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.953 -0.567 . . . . 3.46 110.503 175.483 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 864' ' ' LEU . 1.9 t-20 -124.68 123.62 40.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.549 -0.537 . . . . 1.86 109.549 178.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -71.41 89.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 3.12 110.894 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.533 HG21 ' CB ' ' A' ' 828' ' ' LEU . 1.4 mp -67.91 145.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.726 -0.67 . . . . 1.06 109.569 172.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -87.45 -68.96 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.398 . . . . 1.64 111.098 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.485 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.1 mt -99.74 130.78 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.03 110.158 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.05 131.25 70.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.69 0.281 . . . . 0.67 111.564 -174.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.634 HD23 HD12 ' A' ' 900' ' ' ILE . 0.1 OUTLIER -116.19 99.43 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.87 109.655 174.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.452 ' HA ' HG23 ' A' ' 830' ' ' VAL . 1.5 p -85.28 102.02 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.899 -0.408 . . . . 0.73 109.899 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 831' ' ' ASP . 8.7 t0 -105.0 124.45 49.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.34 111.068 -173.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.8 122.55 62.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.93 -0.577 . . . . 1.29 110.745 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.558 ' HA ' ' HD3' ' A' ' 925' ' ' LYS . 0.1 OUTLIER -88.14 -14.76 37.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.467 0.651 . . . . 2.55 109.625 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 16.3 tpt -84.22 118.22 70.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.916 -1.038 . . . . 3.66 110.84 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.62 163.28 24.14 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.682 2.254 . . . . 3.48 111.403 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 64.1 t30 73.1 -52.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.641 0.588 . . . . 4.87 110.946 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -102.4 74.17 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.071 -0.715 . . . . 5.58 109.071 173.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.713 ' HB2' HG22 ' A' ' 903' ' ' THR . 5.8 p-10 -87.41 -153.65 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.391 -0.822 . . . . 4.99 111.904 -173.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.542 ' HA2' HD21 ' A' ' 886' ' ' LEU . . . -99.36 12.4 61.7 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 121.186 -0.531 . . . . 3.04 113.293 -172.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.627 ' C ' ' HG3' ' A' ' 916' ' ' GLU . 1.1 p90 -53.7 -65.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.426 0.632 . . . . 2.84 111.807 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 1.2 tmm_? -60.83 -30.45 70.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.217 -0.447 . . . . 3.36 111.737 -168.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.949 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 1.4 pp -76.94 -18.74 58.07 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.199 1.0 . . . . 2.34 108.315 -172.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' ' 884' ' ' TYR . 73.4 m -70.06 -35.72 74.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.481 -1.69 . . . . 1.28 108.226 173.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 916' ' ' GLU . 5.6 tt0 -64.13 -39.11 93.33 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.77 -1.105 . . . . 2.17 110.861 173.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.494 ' HA ' ' HD3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -65.14 -36.8 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 2.36 110.474 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 895' ' ' LEU . 0.2 OUTLIER -64.94 -35.46 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.943 0.401 . . . . 1.71 109.992 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.49 ' NH1' ' HG3' ' A' ' 888' ' ' GLN . 1.4 ttm180 -65.07 -43.97 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.874 -0.603 . . . . 2.24 110.343 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -36.17 82.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.197 -0.456 . . . . 2.62 111.346 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 893' ' ' LEU . 0.1 OUTLIER -71.36 -23.01 61.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.527 . . . . 1.91 110.861 -178.069 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 98.67 82.86 1.69 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.8 -0.92 . . . . 1.12 110.8 -175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.508 ' HB3' HG23 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -79.3 128.89 33.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.82 0.819 . . . . 2.89 112.335 -172.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . 0.774 ' H ' HD22 ' A' ' 897' ' ' LEU . 0.1 OUTLIER -112.22 6.42 18.97 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.314 -1.365 . . . . 2.49 107.314 170.341 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 896' ' ' THR . 1.2 mm? -105.81 130.5 22.92 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 113.874 -1.512 . . . . 1.4 111.729 -163.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.18 106.73 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.69 2.26 . . . . 0.73 109.741 166.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.954 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 40.1 t -102.61 123.81 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.445 0.641 . . . . 0.64 112.14 -171.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.634 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -104.62 112.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.41 -0.813 . . . . 0.64 109.038 173.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -91.79 121.53 6.42 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.773 -0.727 . . . . 0.48 112.451 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.16 94.57 3.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.235 -0.654 . . . . 1.04 109.235 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.713 HG22 ' HB2' ' A' ' 882' ' ' ASP . 0.3 OUTLIER -96.9 163.02 13.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.054 -0.521 . . . . 0.89 111.693 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -121.68 104.2 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 1.19 111.703 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 1.9 t30 40.63 59.98 2.01 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.278 0.987 . . . . 2.7 113.097 175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 909' ' ' GLU . . . -118.24 92.17 3.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.591 . . . . 2.81 109.403 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 126.68 2.82 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.603 0.564 . . . . 3.93 111.727 -176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 71.28 45.08 0.5 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.094 0.871 . . . . 2.09 111.049 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 906' ' ' ALA . 4.4 mt-10 -58.45 -42.66 87.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 3.31 110.238 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 15.5 pm0 -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.103 -0.953 . . . . 3.58 110.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -36.38 57.79 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.167 -0.469 . . . . 2.29 110.239 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.553 ' HB3' ' HB2' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -71.94 -35.53 69.63 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.299 -0.56 . . . . 2.65 109.792 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -59.4 -40.76 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 4.05 110.068 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.89 -35.41 78.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 1.65 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -48.25 56.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.352 -0.385 . . . . 1.88 111.745 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.627 ' HG3' ' C ' ' A' ' 884' ' ' TYR . 5.2 mm-40 -77.93 -23.38 48.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.191 -0.459 . . . . 3.47 111.328 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 3.6 m 52.11 53.0 13.22 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.787 1.403 . . . . 1.35 114.787 167.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.44 25.14 1.53 Allowed Glycine 0 C--O 1.226 -0.363 0 C-N-CA 119.968 -1.11 . . . . 1.02 113.108 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.954 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.5 ttm -111.67 -125.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.479 -0.424 . . . . 2.01 111.604 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.515 ' H ' ' HB3' ' A' ' 919' ' ' MET . 17.8 t70 177.2 -51.89 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.366 -0.834 . . . . 1.26 109.023 174.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 70.7 m -140.31 149.75 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.569 -0.741 . . . . 1.26 110.499 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.41 136.69 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.014 0.435 . . . . 1.13 110.997 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.56 -175.46 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.508 -0.769 . . . . 0.69 109.084 177.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 903' ' ' THR . 2.1 m -128.53 158.31 38.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.704 -0.398 . . . . 0.89 110.94 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 877' ' ' ASN . 4.4 tptp -45.5 -43.45 25.02 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 113.892 1.071 . . . . 1.11 113.892 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 32.1 Cg_endo -65.89 68.15 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.006 1.804 . . . . 1.01 113.549 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.64 177.2 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.36 110.175 172.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.13 167.16 24.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.401 -0.363 . . . . 0.92 110.451 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -54.47 -46.83 73.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.804 0.442 . . . . 0.92 111.774 -176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -68.32 -46.25 70.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.796 0.331 . . . . 1.85 110.594 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 19.0 t -60.58 -40.29 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 0.93 110.743 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 843' ' ' GLN . 0.6 OUTLIER -61.98 -47.33 93.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.18 110.447 178.185 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -40.39 92.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.564 -0.289 . . . . 1.9 111.421 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.58 -54.03 51.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 2.25 110.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.7 m -65.52 -42.93 91.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.971 -0.559 . . . . 0.62 111.54 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 847' ' ' LEU . 0.2 OUTLIER -64.18 -43.1 96.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.596 -0.274 . . . . 0.86 111.233 -177.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 41.6 m -68.46 -31.67 71.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 0.87 110.891 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -43.29 93.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.509 . . . . 1.42 110.4 175.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -69.97 -39.28 76.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.59 110.948 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.56 91.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.61 111.287 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -70.04 -35.69 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.912 -0.315 . . . . 1.87 110.261 178.384 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.558 ' N ' ' HG3' ' A' ' 941' ' ' GLU . 73.3 mtt180 -60.97 -48.73 80.47 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 116.167 -0.469 . . . . 3.11 110.909 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 7.0 m -72.58 -31.24 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.75 110.989 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -50.0 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 3.58 110.857 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 941' ' ' GLU . 1.7 ptmt -75.5 -29.46 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.775 0.287 . . . . 2.78 111.775 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 67.2 m -72.97 -47.77 42.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.939 -0.304 . . . . 1.34 111.387 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.66 -20.77 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.535 -0.302 . . . . 3.53 110.814 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 42.2 t0 74.0 -63.11 0.44 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.888 0.743 . . . . 2.64 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.103 -0.951 . . . . 5.09 109.72 175.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 110.407 -0.22 . . . . 7.01 110.407 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.44 11.94 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.83 0.307 . . . . 5.35 111.83 -173.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -115.37 96.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.922 0.391 . . . . 5.29 111.262 -177.313 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.99 99.59 7.77 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.304 -0.407 . . . . 4.72 110.738 177.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -97.55 173.19 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.242 -0.435 . . . . 4.74 109.879 176.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -114.73 -56.45 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.676 -0.238 . . . . 4.86 111.152 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.29 50.38 18.49 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.574 0.546 . . . . 5.08 111.242 -177.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -128.6 84.99 2.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.404 0.621 . . . . 3.99 110.782 -176.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.87 130.6 37.81 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 1.9 110.112 175.591 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.821 ' HB2' ' HA ' ' A' ' 869' ' ' ILE . 0.0 OUTLIER -86.12 117.79 25.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 1.93 109.749 -179.56 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.687 ' HB ' HD21 ' A' ' 844' ' ' LEU . 18.1 mm -116.55 132.08 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.526 . . . . 0.47 111.196 -175.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.43 109.98 21.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.717 -0.674 . . . . 1.37 110.231 178.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.679 HG13 HD22 ' A' ' 844' ' ' LEU . 0.6 OUTLIER -96.93 105.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.507 0.67 . . . . 1.06 109.705 175.89 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 50.9 t -109.93 139.72 31.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.68 -0.691 . . . . 1.07 110.641 -178.195 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 11.2 t0 -142.89 140.53 31.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.02 -1.104 . . . . 1.3 108.02 167.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . 0.584 ' HB3' HG12 ' A' ' 876' ' ' VAL . 1.3 p30 -72.34 -8.11 53.16 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 123.089 0.243 . . . . 2.03 111.532 -175.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 0.6 OUTLIER -128.29 175.72 3.27 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 109.589 -0.523 . . . . 2.12 109.589 174.47 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.426 ' CD ' ' HB2' ' A' ' 833' ' ' HIS . 6.1 Cg_exo -81.97 -35.38 0.38 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.266 1.977 . . . . 1.12 113.84 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.418 HG23 ' HD2' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -64.28 -47.98 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.349 0.499 . . . . 2.26 112.349 -171.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.9 -22.54 42.66 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.243 -0.583 . . . . 1.83 109.684 -178.388 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 854' ' ' ALA . 10.0 ttp180 -61.47 -53.15 60.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.83 -0.623 . . . . 2.78 110.836 175.216 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -63.97 -32.62 74.22 Favored 'General case' 0 C--O 1.228 -0.034 0 C-N-CA 120.551 -0.46 . . . . 2.75 110.657 179.565 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.52 -52.97 55.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 1.14 110.33 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.55 -41.45 97.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.763 -0.653 . . . . 1.43 111.151 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.6 84.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.6 110.96 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.22 -45.14 93.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.993 0.425 . . . . 1.34 109.982 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.436 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -61.02 -48.41 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.634 -0.712 . . . . 1.85 110.864 179.586 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 847' ' ' LEU . 35.8 tp -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.24 111.159 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -63.08 -38.06 95.96 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.987 -0.551 . . . . 0.52 112.621 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 6.3 m -70.96 -25.11 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.7 110.741 178.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.75 HD23 HD12 ' A' ' 844' ' ' LEU . 0.1 OUTLIER -75.68 -28.63 58.76 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.167 -0.679 . . . . 1.56 109.167 177.023 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 102.23 11.51 36.29 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.669 -0.696 . . . . 0.62 113.397 171.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -91.29 172.74 8.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.804 0.302 . . . . 1.22 110.251 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.657 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 2.4 tt0 -71.78 124.1 24.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.525 -0.307 . . . . 2.38 110.274 179.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.569 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.5 OUTLIER -101.04 104.91 16.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.275 -0.421 . . . . 0.94 111.222 -175.282 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 852' ' ' LYS . 0.0 OUTLIER -108.13 109.99 21.54 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.847 -0.427 . . . . 1.44 109.847 175.673 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.447 HG22 ' HG2' ' A' ' 837' ' ' ARG . 0.1 OUTLIER -91.39 130.23 37.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.946 0.403 . . . . 0.62 111.893 -175.014 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.744 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -144.87 160.98 40.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.47 109.361 175.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.9 OUTLIER -131.44 70.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.192 -0.603 . . . . 1.9 111.697 -175.881 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.621 ' HB2' ' O ' ' A' ' 855' ' ' ASN . 3.4 t0 161.42 162.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.539 -1.21 . . . . 1.45 108.447 171.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.603 ' HA3' ' CB ' ' A' ' 886' ' ' LEU . . . -72.85 -40.85 51.29 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.21 -0.995 . . . . 0.58 111.191 177.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 858' ' ' VAL . 0.4 OUTLIER -67.2 -31.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.95 110.337 175.84 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -59.68 -41.18 90.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.84 110.466 177.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -61.93 -40.37 95.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.092 -0.504 . . . . 0.51 111.047 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.2 OUTLIER -70.47 -33.23 71.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.1 0.476 . . . . 1.85 110.793 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -44.38 65.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.65 . . . . 1.72 109.484 178.327 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 18.1 t -64.8 -32.59 58.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.075 -0.966 . . . . 0.89 110.256 179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.39 -35.62 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.083 0.468 . . . . 1.66 110.679 174.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 31.8 m -77.61 -19.07 56.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.297 -0.411 . . . . 0.82 111.507 -177.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -52.97 3.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.966 0.412 . . . . 3.46 111.196 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -99.23 -173.41 2.48 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.278 -0.419 . . . . 1.86 110.111 -176.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -107.63 146.31 32.15 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.925 -0.769 . . . . 3.12 108.925 172.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.821 ' HA ' ' HB2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -154.46 151.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.749 -0.463 . . . . 1.06 109.749 -179.638 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.64 -49.56 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.948 0.404 . . . . 1.64 110.586 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 7.1 mm -128.17 139.77 50.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.286 -0.416 . . . . 1.03 110.726 -178.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.2 126.76 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.444 -0.344 . . . . 0.67 110.666 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -126.62 122.61 35.5 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.984 -0.376 . . . . 0.87 109.984 174.781 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.747 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.1 OUTLIER -117.75 106.72 13.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.73 111.183 -178.159 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.801 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 44.6 t0 -83.41 106.91 15.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.68 -0.691 . . . . 1.34 109.66 176.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.584 HG12 ' HB3' ' A' ' 832' ' ' ASP . 0.2 OUTLIER -137.46 118.61 17.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.064 0.394 . . . . 1.29 112.064 -172.636 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.941 HD21 ' HB2' ' A' ' 906' ' ' ALA . 0.5 OUTLIER 178.51 47.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.247 0.832 . . . . 2.55 113.247 169.713 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.725 ' H ' ' HD2' ' A' ' 879' ' ' PRO . 51.1 ttp -97.98 -46.17 0.23 Allowed Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 109.678 -0.489 . . . . 3.66 109.678 164.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.725 ' HD2' ' H ' ' A' ' 878' ' ' MET . 19.0 Cg_endo -61.76 158.97 35.02 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.939 1.759 . . . . 3.48 111.21 168.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -88.52 -30.68 19.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.021 0.378 . . . . 4.87 112.021 -172.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.07 73.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.471 0.545 . . . . 5.58 112.471 -171.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -174.07 -164.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 4.99 110.413 171.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 117.44 -8.37 15.51 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.311 -1.116 . . . . 3.04 110.311 -175.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.909 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 6.6 p90 -130.37 -38.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 2.84 111.525 -178.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.671 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -58.48 -26.71 63.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.772 . . . . 3.36 111.141 -166.166 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.603 ' CB ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -69.63 -28.65 66.09 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.988 0.899 . . . . 2.34 108.851 -172.461 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.7 m -81.0 -27.08 36.0 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 114.223 -1.353 . . . . 1.28 109.869 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -55.9 -44.6 78.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.272 0.558 . . . . 2.17 109.632 172.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.444 ' HB3' HD22 ' A' ' 861' ' ' LEU . 1.3 mmt180 -64.67 -38.68 91.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 2.36 110.814 176.349 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 899' ' ' VAL . 12.2 mt -62.67 -46.36 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.565 . . . . 1.71 111.573 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.713 ' HB3' ' HA3' ' A' ' 918' ' ' GLY . 0.0 OUTLIER -72.64 -25.79 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.678 0.275 . . . . 2.24 110.911 -178.128 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -42.43 95.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.189 -0.671 . . . . 2.62 109.189 173.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 893' ' ' LEU . 0.2 OUTLIER -70.66 -40.03 73.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.717 . . . . 1.91 110.268 177.119 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 92.53 44.25 4.04 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.914 -0.66 . . . . 1.12 112.19 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.475 ' HB2' HG23 ' A' ' 890' ' ' ILE . 4.4 mp -55.35 129.86 40.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.89 111.045 178.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 14.2 t -93.99 18.78 10.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.731 -0.668 . . . . 2.49 110.927 -176.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.51 149.08 60.63 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.364 -0.38 . . . . 1.4 110.333 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.65 129.1 23.94 Favored 'Trans proline' 0 C--O 1.241 0.642 0 C-N-CA 122.987 2.458 . . . . 0.73 112.932 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.843 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 11.0 t -109.3 122.32 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.657 -0.702 . . . . 0.64 109.911 177.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.523 HG12 ' HB2' ' A' ' 921' ' ' SER . 23.1 mt -113.11 110.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 116.013 -0.54 . . . . 0.64 110.198 179.726 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -89.25 116.82 4.78 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.901 -0.666 . . . . 0.48 112.449 -177.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.801 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 1.9 t -87.98 96.84 6.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.842 -0.799 . . . . 1.04 108.842 175.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.471 HG22 HG23 ' A' ' 876' ' ' VAL . 36.6 p -126.75 137.27 53.21 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.464 -0.335 . . . . 0.89 110.523 -173.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.617 ' HB2' ' H ' ' A' ' 925' ' ' LYS . . . -142.61 107.83 4.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.78 -0.368 . . . . 1.19 111.784 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 84.83 45.19 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.381 1.05 . . . . 2.7 111.13 176.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.941 ' HB2' HD21 ' A' ' 877' ' ' ASN . . . -100.83 15.27 28.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 2.81 111.071 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.87 86.2 0.12 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.686 0.616 . . . . 3.93 111.215 176.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 62.23 65.67 0.86 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.722 -0.672 . . . . 2.09 110.556 -178.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.839 ' HG3' ' HB3' ' A' ' 906' ' ' ALA . 33.9 mp0 -63.82 -27.43 69.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.347 -0.842 . . . . 3.31 110.813 -179.115 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 0.1 OUTLIER -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.988 -0.551 . . . . 3.58 110.104 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.6 -39.07 64.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 2.29 110.734 179.06 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.909 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -70.67 -27.54 64.11 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.349 -0.54 . . . . 2.65 109.742 178.104 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.737 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.0 OUTLIER -59.74 -43.38 94.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.748 -0.66 . . . . 4.05 110.347 173.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.25 -26.27 67.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.643 -0.708 . . . . 1.65 110.473 174.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 912' ' ' GLN . 1.4 mp -71.67 -52.41 18.04 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.295 0.48 . . . . 1.88 112.295 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.737 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -77.11 -47.73 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 120.09 -0.644 . . . . 3.47 110.608 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . 0.631 ' HA ' ' NH2' ' A' ' 913' ' ' ARG . 10.4 m 49.07 51.34 16.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.963 1.098 . . . . 1.35 113.963 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.713 ' HA3' ' HB3' ' A' ' 891' ' ' ARG . . . -139.22 12.22 3.29 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.195 -1.002 . . . . 1.02 112.084 171.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.843 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 mtm -87.81 -108.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.465 -0.368 . . . . 2.01 110.843 -172.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 919' ' ' MET . 11.8 t70 159.47 -56.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.464 1.106 . . . . 1.26 109.155 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.523 ' HB2' HG12 ' A' ' 900' ' ' ILE . 50.7 m -135.47 163.97 28.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.702 -0.681 . . . . 1.26 110.299 -178.042 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.7 138.93 27.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 1.13 110.614 -178.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 902' ' ' VAL . 0.1 OUTLIER -127.87 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.306 -0.407 . . . . 0.69 109.952 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.551 ' HB2' ' HD2' ' A' ' 926' ' ' PRO . 0.8 OUTLIER -106.45 157.77 17.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.677 -0.238 . . . . 0.89 110.405 179.335 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.617 ' H ' ' HB2' ' A' ' 904' ' ' ALA . 0.1 OUTLIER -50.12 -40.97 61.59 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 113.63 0.974 . . . . 1.11 113.63 -177.463 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 924' ' ' SER . 20.7 Cg_exo -68.36 60.1 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 122.186 1.924 . . . . 1.01 113.308 175.152 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.1 98.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.037 0.446 . . . . 1.36 110.283 175.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.27 -178.08 6.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.96 -0.564 . . . . 0.92 111.424 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 933' ' ' LYS . 0.7 OUTLIER -57.2 -46.18 83.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.171 -0.468 . . . . 0.92 111.162 -178.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -36.47 66.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.597 -0.274 . . . . 1.85 111.076 -177.438 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.29 -47.09 94.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.091 -0.337 . . . . 0.93 110.091 178.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.81 -30.46 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.79 0.328 . . . . 1.18 110.48 177.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 929' ' ' LEU . 0.0 OUTLIER -67.09 -48.47 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 1.9 111.698 -177.608 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 938' ' ' LEU . 0.9 OUTLIER -67.98 -40.68 83.09 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.608 -0.437 . . . . 2.25 110.643 -178.674 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 2.9 m -60.68 -48.34 82.22 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.825 0.345 . . . . 0.62 110.901 177.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 847' ' ' LEU . 0.1 OUTLIER -63.22 -55.85 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.86 111.331 -178.836 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 43.4 m -60.01 -44.13 94.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.076 -0.511 . . . . 0.87 112.094 -174.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 934' ' ' GLN . 0.1 OUTLIER -70.59 -37.1 73.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 1.42 111.734 -176.094 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.468 ' HA ' ' HB3' ' A' ' 942' ' ' ARG . 0.6 OUTLIER -83.16 -30.51 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.494 -0.482 . . . . 1.59 111.611 -177.059 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.66 88.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.743 0.306 . . . . 0.61 110.212 176.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.98 -32.58 59.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.413 -0.358 . . . . 1.87 110.114 176.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 939' ' ' TYR . 0.3 OUTLIER -62.07 -48.84 78.41 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.376 -0.374 . . . . 3.11 110.292 179.43 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 939' ' ' TYR . 18.7 m -71.59 -30.56 39.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.899 0.38 . . . . 0.75 110.408 179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.84 77.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 3.58 111.095 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -26.64 36.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.862 0.319 . . . . 2.78 111.862 -177.12 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 25.2 m -76.37 -50.95 12.89 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.711 -0.396 . . . . 1.34 111.267 179.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.37 -26.0 23.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 3.53 111.2 -176.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 24.2 t70 60.29 90.35 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.712 0.633 . . . . 2.64 110.458 -176.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.349 -0.834 . . . . 5.09 110.75 -174.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 817' ' ' LYS . 20.2 mmtt . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.641 -0.503 . . . . 7.01 109.641 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -139.82 124.82 18.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.944 0.402 . . . . 5.35 111.781 -176.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.16 102.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.71 -0.677 . . . . 5.29 109.869 175.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.63 90.39 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.806 0.336 . . . . 4.72 110.934 -176.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -165.33 124.12 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 4.74 110.564 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -158.11 80.78 0.84 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.184 -0.462 . . . . 4.86 110.517 177.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.34 65.92 0.8 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.577 0.703 . . . . 5.08 109.166 172.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.79 56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.075 -0.966 . . . . 3.99 111.237 -177.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . 0.541 ' HB3' ' HD2' ' A' ' 849' ' ' TYR . 13.4 ttm -116.82 101.63 8.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 1.9 110.064 177.394 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.585 ' HA ' ' HB2' ' A' ' 850' ' ' GLN . 49.2 ttm -86.51 111.12 20.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.93 110.862 -178.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.663 HG23 ' HB ' ' A' ' 871' ' ' ILE . 0.2 OUTLIER -106.9 142.96 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.816 -0.629 . . . . 0.47 109.717 177.907 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.558 HD21 HG11 ' A' ' 863' ' ' VAL . 3.4 mt -94.93 106.57 18.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.591 -0.277 . . . . 1.37 111.144 -178.354 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 840' ' ' LEU . 3.0 m -91.17 95.43 5.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 121.678 0.751 . . . . 1.06 109.617 175.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.694 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 16.6 t -114.06 136.47 50.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.71 -0.677 . . . . 1.07 110.856 -175.834 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.606 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 2.7 t70 -158.65 131.04 6.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.884 -0.784 . . . . 1.3 108.884 169.232 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -15.75 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.632 0.605 . . . . 2.03 112.632 -171.249 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 877' ' ' ASN . 0.0 OUTLIER -123.99 92.96 47.76 Favored Pre-proline 0 C--N 1.328 -0.351 0 O-C-N 121.9 -0.5 . . . . 2.12 110.811 178.75 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 33.0 Cg_exo -21.01 -37.96 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.991 1 C-N-CA 127.562 5.508 . . . . 1.12 118.971 -168.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.533 ' O ' ' HG3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -56.3 -46.54 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 119.0 0.818 . . . . 2.26 112.375 -175.237 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -78.5 -29.5 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.855 -0.528 . . . . 1.83 109.882 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 831' ' ' ASP . 1.7 ttp180 -58.07 -50.16 74.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 2.78 111.418 175.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 835' ' ' ILE . 0.0 OUTLIER -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.458 -0.337 . . . . 2.75 110.409 -179.777 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.81 78.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.117 0.484 . . . . 1.14 110.357 176.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 829' ' ' VAL . 49.5 tp -66.76 -41.41 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.728 -0.669 . . . . 1.43 110.698 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.06 74.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.507 . . . . 0.6 110.84 178.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.68 -44.52 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.34 110.421 177.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.9 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.9 OUTLIER -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 1.85 110.649 179.293 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' ' 827' ' ' ILE . 27.8 tp -65.8 -33.92 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.976 0.417 . . . . 1.24 110.608 177.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.55 72.31 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.08 -0.581 . . . . 0.52 111.963 176.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.6 m -82.26 -22.04 35.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.085 0.469 . . . . 0.7 110.094 175.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 -33.97 60.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.683 -0.69 . . . . 1.56 109.864 175.054 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 97.02 29.75 7.86 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.512 -0.767 . . . . 0.62 112.178 177.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . 0.541 ' HD2' ' HB3' ' A' ' 825' ' ' MET . 57.3 m-85 -116.5 156.48 26.83 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.37 -0.132 . . . . 1.22 110.673 -178.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.585 ' HB2' ' HA ' ' A' ' 826' ' ' MET . 58.4 mt-30 -64.91 120.89 13.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 2.38 110.561 -177.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 100.45 9.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.043 0.449 . . . . 0.94 110.894 -178.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.505 ' HD3' ' HG3' ' A' ' 826' ' ' MET . 0.1 OUTLIER -87.9 113.33 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.403 -0.591 . . . . 1.44 109.403 176.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.64 128.02 36.48 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.615 0.598 . . . . 0.62 112.615 -170.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.461 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -143.19 168.63 19.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.34 -0.846 . . . . 0.47 108.909 174.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 0.4 OUTLIER -141.45 72.73 1.39 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.042 -0.663 . . . . 1.9 112.373 -178.638 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.706 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 5.6 t70 163.76 157.88 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.932 0.893 . . . . 1.45 109.389 174.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 1.03 ' HA3' ' HG ' ' A' ' 886' ' ' LEU . . . -71.25 -39.61 62.04 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.545 -0.836 . . . . 0.58 111.243 177.349 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.479 HG22 ' OD1' ' A' ' 856' ' ' ASP . 35.2 m -72.84 -30.27 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.95 110.148 177.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 14.0 t0 -60.2 -42.82 95.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.82 -0.627 . . . . 0.84 110.43 177.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.572 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -65.83 -38.96 90.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.51 111.252 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -69.63 -32.91 71.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.904 0.383 . . . . 1.85 110.423 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -42.19 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.029 -0.532 . . . . 1.72 111.073 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.558 HG11 HD21 ' A' ' 828' ' ' LEU . 10.2 p -72.71 -31.27 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.52 -0.309 . . . . 0.89 110.233 178.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 864' ' ' LEU . 0.2 OUTLIER -56.97 -45.12 83.13 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.169 -0.469 . . . . 1.66 110.727 175.649 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -33.02 64.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.82 111.389 -177.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -36.72 42.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.449 -0.341 . . . . 3.46 111.637 -176.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -111.5 -124.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.192 -0.299 . . . . 1.86 110.192 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -142.19 -73.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.604 -0.517 . . . . 3.12 109.604 178.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.519 HG12 ' HG ' ' A' ' 828' ' ' LEU . 2.5 mp 66.8 144.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.64 0.588 . . . . 1.06 111.003 -177.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.37 -49.62 3.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.043 -0.411 . . . . 1.64 111.038 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.663 ' HB ' HG23 ' A' ' 827' ' ' ILE . 4.8 mt -125.28 137.14 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.524 -0.307 . . . . 1.03 110.288 179.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.417 HG22 HD12 ' A' ' 828' ' ' LEU . 46.6 t -114.61 131.09 67.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.775 -0.193 . . . . 0.67 111.437 -177.402 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.24 99.2 6.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.16 -0.681 . . . . 0.87 109.16 171.515 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.694 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 1.8 p -104.1 106.22 16.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.728 0.299 . . . . 0.73 110.896 -176.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' ' 902' ' ' VAL . 49.5 t0 -99.72 138.97 36.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 1.34 110.572 178.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.99 132.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.363 179.374 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 833' ' ' HIS . 29.2 t-20 -97.83 -48.63 5.11 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.394 -0.595 . . . . 2.55 109.394 177.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . 0.555 ' SD ' ' HD2' ' A' ' 879' ' ' PRO . 12.7 tpp -57.12 110.63 2.57 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.159 -0.928 . . . . 3.66 111.502 178.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.555 ' HD2' ' SD ' ' A' ' 878' ' ' MET . 94.3 Cg_endo -82.69 -2.24 10.87 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.807 2.338 . . . . 3.48 112.228 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -79.92 6.51 11.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.479 0.657 . . . . 4.87 110.756 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.59 106.86 3.88 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 108.584 -0.895 . . . . 5.58 108.584 178.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.784 ' HB2' ' HD1' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -46.35 117.02 1.43 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.306 -0.861 . . . . 4.99 110.422 178.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -68.81 9.47 1.92 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.679 -0.691 . . . . 3.04 113.698 -173.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.784 ' HD1' ' HB2' ' A' ' 882' ' ' ASP . 2.9 p90 -96.29 -37.94 10.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.494 0.664 . . . . 2.84 110.925 175.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.628 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -59.39 -26.84 65.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.68 0.752 . . . . 3.36 111.803 -164.233 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 1.03 ' HG ' ' HA3' ' A' ' 857' ' ' GLY . 0.0 OUTLIER -79.26 -24.57 42.9 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.613 -0.884 . . . . 2.34 108.613 -171.352 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 890' ' ' ILE . 17.3 m -73.48 -28.82 62.14 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.065 -1.425 . . . . 1.28 109.268 175.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.628 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 3.2 tp-100 -59.84 -41.96 92.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.412 -0.813 . . . . 2.17 109.093 173.429 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.473 ' HB3' HD22 ' A' ' 861' ' ' LEU . 0.1 OUTLIER -61.26 -36.43 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.499 -0.773 . . . . 2.36 110.653 174.734 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 887' ' ' THR . 88.1 mt -65.25 -37.97 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.324 -0.398 . . . . 1.71 110.978 176.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.447 ' NH2' HE22 ' A' ' 888' ' ' GLN . 0.0 OUTLIER -64.19 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.999 0.428 . . . . 2.24 110.686 178.501 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -80.42 -29.99 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.773 -0.649 . . . . 2.62 110.241 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -46.53 74.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.609 -0.723 . . . . 1.91 109.972 176.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 124.6 78.14 0.34 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.962 -0.637 . . . . 1.12 111.758 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.786 HD22 ' HA2' ' A' ' 918' ' ' GLY . 0.2 OUTLIER -78.91 136.12 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.258 0.552 . . . . 2.89 111.03 -178.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . 0.49 ' H ' HD23 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -147.92 29.04 0.91 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.547 -0.752 . . . . 2.49 109.25 172.78 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 896' ' ' THR . 0.7 OUTLIER -145.27 153.79 52.87 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.836 -1.074 . . . . 1.4 109.502 -176.589 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 897' ' ' LEU . 14.6 Cg_exo -69.42 117.34 5.0 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.833 2.355 . . . . 0.73 112.676 -178.361 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.853 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 21.9 t -111.16 122.04 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.389 0.614 . . . . 0.64 110.562 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.621 HD12 HD23 ' A' ' 873' ' ' LEU . 0.0 OUTLIER -108.46 111.45 36.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.856 -0.611 . . . . 0.64 109.771 177.201 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.44 108.59 3.69 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.698 -0.763 . . . . 0.48 112.702 -175.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 875' ' ' ASP . 2.9 t -80.46 120.14 31.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.761 -0.829 . . . . 1.04 108.761 174.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 1.7 p -136.48 151.87 49.93 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.29 -0.564 . . . . 0.89 111.951 -172.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -79.34 165.07 23.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.617 -0.72 . . . . 1.19 109.407 171.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.85 -74.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.522 0.514 . . . . 2.7 110.295 -177.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . 54.59 43.88 29.55 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 122.991 0.516 . . . . 2.81 112.066 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 2.0 mp -98.29 -41.18 7.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.031 0.443 . . . . 3.93 110.142 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -111.47 47.16 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.756 -0.656 . . . . 2.09 110.204 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -69.33 -39.06 78.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 3.31 110.814 -177.054 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.23 -42.15 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.054 0.454 . . . . 3.58 109.882 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -42.16 89.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.556 -0.747 . . . . 2.29 110.971 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.726 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 5.0 mt-30 -72.58 -35.31 67.89 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.299 -0.56 . . . . 2.65 111.07 -177.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.769 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 2.1 ttp-105 -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.367 . . . . 4.05 110.93 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 28.4 m -74.75 -28.01 60.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.138 0.494 . . . . 1.65 109.81 174.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.657 ' HB3' ' CE2' ' A' ' 884' ' ' TYR . 0.4 OUTLIER -72.2 -52.88 14.47 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.665 -0.698 . . . . 1.88 112.329 -178.605 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.769 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.0 OUTLIER -78.65 -37.7 41.35 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.006 -0.678 . . . . 3.47 110.467 -178.025 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 47.74 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.901 0.75 . . . . 1.35 112.373 177.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . 0.786 ' HA2' HD22 ' A' ' 895' ' ' LEU . . . -144.7 11.91 1.94 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.106 -1.045 . . . . 1.02 112.635 176.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.853 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -100.22 -116.21 0.16 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.081 0.467 . . . . 2.01 111.652 -173.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 919' ' ' MET . 10.9 t70 172.49 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.14 -1.43 . . . . 1.26 107.14 -178.049 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 5.5 m -148.66 159.77 43.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.111 -0.949 . . . . 1.26 109.854 176.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 62.4 m -114.73 150.59 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.664 0.269 . . . . 1.13 110.603 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 902' ' ' VAL . 5.9 mt -131.37 167.72 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.856 -0.424 . . . . 0.69 109.856 178.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.99 143.81 25.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.437 -0.347 . . . . 0.89 110.309 178.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.551 ' HA ' HG12 ' A' ' 902' ' ' VAL . 2.4 tttp -48.54 -50.16 60.33 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 113.437 0.903 . . . . 1.11 113.437 -178.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 7.0 Cg_exo -75.34 58.6 5.16 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.339 2.026 . . . . 1.01 113.313 -178.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.02 146.58 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 1.36 110.603 175.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.18 179.85 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 0.92 111.263 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.9 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.4 tm? -62.56 -47.98 81.47 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.686 0.279 . . . . 0.92 111.714 -172.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.23 -41.95 63.16 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.846 -0.342 . . . . 1.85 110.429 -175.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.39 -38.14 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.939 -0.573 . . . . 0.93 110.539 177.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.664 HG23 HD23 ' A' ' 936' ' ' LEU . 0.3 OUTLIER -64.82 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.842 -0.617 . . . . 1.18 110.146 176.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -48.21 76.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.305 -0.407 . . . . 1.9 111.846 -178.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 934' ' ' GLN . 0.0 OUTLIER -60.55 -48.83 80.04 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.952 0.406 . . . . 2.25 110.556 -179.794 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 4.1 m -63.05 -45.52 91.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.62 111.749 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.664 HD23 HG23 ' A' ' 932' ' ' ILE . 0.1 OUTLIER -65.41 -46.19 80.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.717 -0.22 . . . . 0.86 111.134 -178.418 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 48.2 m -62.97 -42.04 99.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.408 -0.36 . . . . 0.87 111.041 -178.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 -38.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 1.42 111.263 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 942' ' ' ARG . 7.9 m-85 -78.31 -34.11 48.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 1.59 111.063 -178.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -62.72 -42.92 99.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.017 0.437 . . . . 0.61 110.513 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.64 -24.55 58.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.441 -0.345 . . . . 1.87 110.373 177.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 939' ' ' TYR . 0.0 OUTLIER -67.06 -47.97 69.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 3.11 110.241 177.555 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.25 -30.81 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.75 110.226 178.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.0 OUTLIER -63.94 -46.9 82.65 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.142 -0.481 . . . . 3.58 110.688 177.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 942' ' ' ARG . 0.0 OUTLIER -72.33 -24.74 61.35 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.135 -0.226 . . . . 2.78 111.303 -179.121 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 16.7 m -81.51 -23.69 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 1.34 111.512 178.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -94.47 -47.06 6.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 3.53 111.088 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.61 81.57 5.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.634 . . . . 2.64 110.813 -177.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 5.09 110.087 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.156 -0.313 . . . . 7.01 110.156 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -147.34 153.72 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.382 . . . . 5.35 110.429 178.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.89 133.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.08 -0.509 . . . . 5.29 110.112 179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 3.6 m -101.01 153.98 19.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.471 -0.331 . . . . 4.72 110.12 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.19 -167.56 1.62 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.374 -0.375 . . . . 4.74 110.853 -174.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 822' ' ' ASN . 0.1 OUTLIER 74.77 93.75 0.07 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.19 -0.914 . . . . 4.86 112.769 170.846 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.19 63.46 7.2 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.261 -1.014 . . . . 5.08 108.261 167.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.5 59.76 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.478 -1.237 . . . . 3.99 112.038 -169.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.53 104.93 10.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.054 -0.721 . . . . 1.9 109.054 172.759 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.913 ' HG2' HG13 ' A' ' 869' ' ' ILE . 0.0 OUTLIER -93.14 114.34 26.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.166 0.508 . . . . 1.93 111.189 -172.798 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.4 mm -112.41 131.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.032 -0.531 . . . . 0.47 110.53 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.622 HD13 HG11 ' A' ' 863' ' ' VAL . 11.3 tp -102.17 118.42 36.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.986 -0.552 . . . . 1.37 110.117 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -112.51 116.99 54.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.607 -0.724 . . . . 1.06 110.233 -176.847 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.93 HG12 ' HB3' ' A' ' 854' ' ' ALA . 7.5 m -123.08 140.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.836 -0.346 . . . . 1.07 110.643 176.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.574 ' HA ' ' HB3' ' A' ' 875' ' ' ASP . 7.8 t70 -143.99 131.76 21.37 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 1.3 108.885 169.459 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -74.88 21.06 0.12 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.47 0.652 . . . . 2.03 111.834 -178.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.661 ' O ' ' HB2' ' A' ' 837' ' ' ARG . 6.9 m80 -140.9 161.86 51.64 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.411 -0.959 . . . . 2.12 108.411 179.133 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -81.87 -27.91 2.33 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.176 1.918 . . . . 1.12 112.733 177.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 835' ' ' ILE . 0.7 OUTLIER -71.1 -48.87 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.127 0.417 . . . . 2.26 112.127 -173.631 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -26.37 29.34 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.415 -0.514 . . . . 1.83 110.215 -177.068 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.661 ' HB2' ' O ' ' A' ' 833' ' ' HIS . 0.0 OUTLIER -53.73 -47.72 70.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.3 0.571 . . . . 2.78 109.754 171.574 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.554 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -63.86 -49.97 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.215 -0.902 . . . . 2.75 110.692 178.105 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.554 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.1 OUTLIER -69.89 -40.56 75.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.92 -0.582 . . . . 1.14 112.263 -169.507 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.474 HD23 HG23 ' A' ' 829' ' ' VAL . 27.4 tp -71.16 -36.21 71.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.994 -0.548 . . . . 1.43 110.254 -179.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.6 110.155 174.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.7 -56.21 24.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.449 -0.796 . . . . 1.34 110.009 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.829 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -62.88 -38.03 89.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.709 . . . . 1.85 111.298 -178.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 827' ' ' ILE . 36.9 tp -65.39 -33.94 77.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 1.24 110.43 177.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.56 -38.46 94.73 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.903 -0.665 . . . . 0.52 111.701 177.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.2 m -69.33 -29.42 67.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.7 110.732 177.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 847' ' ' LEU . 0.2 OUTLIER -63.48 -30.67 71.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.276 0.56 . . . . 1.56 110.424 177.513 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 87.27 32.02 15.13 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.574 -0.739 . . . . 0.62 112.337 177.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -113.83 164.9 13.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.219 -0.289 . . . . 1.22 110.219 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 118.09 10.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.501 -0.318 . . . . 2.38 110.231 178.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.56 118.49 36.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.76 0.314 . . . . 0.94 111.375 -176.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 110.9 16.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.2 -0.667 . . . . 1.44 109.2 174.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 829' ' ' VAL . 0.2 OUTLIER -96.52 142.12 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.514 0.673 . . . . 0.62 112.734 -172.619 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.93 ' HB3' HG12 ' A' ' 830' ' ' VAL . . . -149.99 -168.3 3.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.875 -1.057 . . . . 0.47 108.563 174.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 18.1 p-10 -157.06 73.66 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.15 -0.62 . . . . 1.9 111.164 -176.058 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 1.011 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 11.6 t0 163.43 148.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.078 -0.965 . . . . 1.45 109.019 177.488 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.442 ' HA3' HD23 ' A' ' 886' ' ' LEU . . . -73.24 -38.36 54.04 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.626 -0.797 . . . . 0.58 111.783 179.002 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 861' ' ' LEU . 0.0 OUTLIER -73.97 -31.69 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.182 -0.303 . . . . 0.95 110.182 177.761 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 1.011 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 0.2 OUTLIER -67.17 -27.64 67.46 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.84 110.181 175.748 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.498 ' HA ' HD21 ' A' ' 828' ' ' LEU . . . -62.0 -52.57 63.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.705 -0.68 . . . . 0.51 110.665 175.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.606 HD22 HG13 ' A' ' 890' ' ' ILE . 1.2 pp -72.73 -28.05 62.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 1.85 110.691 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.16 -44.46 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.161 0.505 . . . . 1.72 109.767 173.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -64.75 -32.76 59.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.539 -0.755 . . . . 0.89 110.322 177.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.66 110.582 176.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 1.3 m -80.92 -19.15 44.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.157 0.503 . . . . 0.82 110.654 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -77.88 -48.38 16.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 3.46 110.495 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 868' ' ' HIS . 22.5 t30 -128.97 -104.84 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.833 -0.621 . . . . 1.86 110.127 -179.668 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . 0.4 ' H ' ' HB3' ' A' ' 867' ' ' ASN . 1.5 t-80 -178.14 144.9 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.261 -0.644 . . . . 3.12 109.261 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.913 HG13 ' HG2' ' A' ' 826' ' ' MET . 0.1 OUTLIER -150.84 148.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.362 -0.607 . . . . 1.06 109.362 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.26 -46.37 8.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.867 0.365 . . . . 1.64 111.055 -175.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.642 ' HB ' HG23 ' A' ' 827' ' ' ILE . 11.8 mm -120.56 125.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.227 -0.442 . . . . 1.03 110.486 -179.133 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.612 HG23 HD11 ' A' ' 897' ' ' LEU . 75.8 t -108.36 132.92 54.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.796 -0.184 . . . . 0.67 110.983 -178.543 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -127.23 113.84 16.86 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.093 -0.336 . . . . 0.87 110.093 174.5 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.775 ' HA ' HG22 ' A' ' 830' ' ' VAL . 0.0 OUTLIER -107.6 101.67 10.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.73 111.301 -179.427 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.787 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 39.2 t0 -81.62 108.72 15.41 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 121.498 0.666 . . . . 1.34 110.682 178.476 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.15 122.98 69.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.028 -0.987 . . . . 1.29 111.233 -175.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 833' ' ' HIS . 8.1 t-20 -147.01 101.81 3.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.52 -0.764 . . . . 2.55 108.949 175.337 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 36.2 ttm -150.04 139.33 13.08 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 115.426 -0.806 . . . . 3.66 109.359 -175.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -44.06 -54.23 4.03 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.268 2.645 . . . . 3.48 112.552 179.451 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -80.13 92.67 5.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.876 -0.787 . . . . 4.87 108.876 170.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.49 ' HG3' ' HA ' ' A' ' 906' ' ' ALA . 0.0 OUTLIER -75.92 70.58 2.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.023 -0.535 . . . . 5.58 111.83 -173.259 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.5 22.83 7.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.419 0.628 . . . . 4.99 109.537 174.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . 0.537 ' O ' ' HB2' ' A' ' 886' ' ' LEU . . . -60.04 -35.04 86.13 Favored Glycine 0 C--N 1.334 0.435 0 CA-C-N 115.308 -0.86 . . . . 3.04 112.644 -178.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.66 ' CB ' ' HB3' ' A' ' 912' ' ' GLN . 25.1 p90 -61.06 -45.78 93.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.902 0.858 . . . . 2.84 110.204 175.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -55.23 -24.64 28.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.16 0.981 . . . . 3.36 110.09 -174.478 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -62.66 -35.68 80.44 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.682 -1.145 . . . . 2.34 108.598 -175.768 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 890' ' ' ILE . 54.2 m -76.23 -27.02 56.61 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.469 -1.696 . . . . 1.28 109.502 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 885' ' ' ARG . 23.7 tp60 -58.92 -36.37 74.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.631 -0.713 . . . . 2.17 109.542 174.493 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.477 ' O ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -66.94 -38.8 86.81 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.396 -0.365 . . . . 2.36 110.099 174.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.825 HG23 ' HB2' ' A' ' 895' ' ' LEU . 8.9 mt -55.22 -48.47 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.211 -0.449 . . . . 1.71 110.703 175.223 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -65.44 -38.89 91.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 2.24 110.446 178.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.67 -42.57 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 2.62 110.785 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.5 -47.71 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.91 110.092 177.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 123.52 24.09 2.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.478 -0.867 . . . . 1.12 112.559 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.825 ' HB2' HG23 ' A' ' 890' ' ' ILE . 0.9 OUTLIER -83.69 120.87 26.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.875 -0.417 . . . . 2.89 109.875 178.534 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 6.9 t -115.57 9.72 15.43 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.353 0.597 . . . . 2.49 110.937 -177.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 872' ' ' VAL . 0.4 OUTLIER -72.66 159.0 86.44 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 1.4 110.195 179.349 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 897' ' ' LEU . 18.5 Cg_endo -59.76 104.88 0.24 Allowed 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.811 2.341 . . . . 0.73 113.038 -177.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.825 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 43.1 t -105.16 115.69 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 115.993 -0.549 . . . . 0.64 110.169 175.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 873' ' ' LEU . 2.0 mt -106.38 110.35 31.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.995 -0.548 . . . . 0.64 109.826 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -88.45 122.33 6.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.608 -0.806 . . . . 0.48 112.259 -177.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.787 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 3.0 t -82.6 94.04 2.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 174.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 16.8 p -101.91 124.47 47.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.001 -0.545 . . . . 0.89 111.748 -171.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.827 ' HB2' ' HB2' ' A' ' 925' ' ' LYS . . . -103.9 105.35 15.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 1.19 110.067 174.176 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 56.91 70.03 0.69 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.857 0.723 . . . . 2.7 111.563 -178.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.49 ' HA ' ' HG3' ' A' ' 881' ' ' MET . . . -104.49 27.95 7.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.029 -0.532 . . . . 2.81 110.072 176.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.457 ' HB3' ' H ' ' A' ' 908' ' ' ALA . 0.1 OUTLIER 57.63 -110.8 0.55 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 3.93 110.342 -175.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 907' ' ' LEU . . . -101.91 92.67 4.91 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.744 -0.465 . . . . 2.09 109.744 175.582 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 909' ' ' GLU . 0.0 OUTLIER -60.2 -38.55 83.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 3.31 111.816 -174.288 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -36.24 74.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 3.58 110.902 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -71.57 -39.56 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.337 -0.392 . . . . 2.29 110.442 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.66 ' HB3' ' CB ' ' A' ' 884' ' ' TYR . 2.6 mp0 -69.88 -29.61 66.86 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.585 -0.524 . . . . 2.65 109.585 179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.511 ' HA ' ' CD ' ' A' ' 916' ' ' GLU . 11.4 mtm-85 -68.33 -26.37 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 4.05 110.548 176.01 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 60.0 m -72.99 -29.09 62.78 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.647 -0.501 . . . . 1.65 109.647 172.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 912' ' ' GLN . 41.6 mt -73.13 -54.28 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.88 112.18 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 884' ' ' TYR . 0.0 OUTLIER -79.31 -43.9 22.68 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 3.47 111.321 -178.107 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 40.0 m 51.14 51.96 15.91 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.604 0.964 . . . . 1.35 113.604 175.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -146.11 11.82 1.62 Allowed Glycine 0 C--N 1.32 -0.359 0 C-N-CA 120.301 -0.952 . . . . 1.02 111.889 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.825 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 0.2 OUTLIER -91.83 -117.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.036 0.446 . . . . 2.01 111.471 -173.51 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.494 ' H ' ' HB3' ' A' ' 919' ' ' MET . 12.1 t70 172.61 -57.92 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.482 -0.781 . . . . 1.26 109.056 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 900' ' ' ILE . 43.1 m -148.65 156.54 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.213 -0.903 . . . . 1.26 110.251 -177.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.443 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 98.4 m -125.73 134.39 51.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.837 0.351 . . . . 1.13 110.696 178.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . . . . . . . . . 19.1 mt -118.33 -178.26 3.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.546 . . . . 0.69 109.549 177.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 6.7 m -106.14 155.24 19.64 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.061 -0.348 . . . . 0.89 110.061 176.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.827 ' HB2' ' HB2' ' A' ' 904' ' ' ALA . 19.0 tttp -53.03 -47.88 94.01 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.078 0.77 . . . . 1.11 113.078 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 925' ' ' LYS . 60.0 Cg_endo -72.6 66.13 3.8 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.0 1.8 . . . . 1.01 113.012 177.158 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.04 116.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.198 0.523 . . . . 1.36 110.319 176.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.06 166.12 17.97 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.836 -0.62 . . . . 0.92 110.531 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.829 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.3 tm? -58.68 -37.75 76.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.97 0.415 . . . . 0.92 110.071 177.324 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.71 -56.96 15.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.593 -0.731 . . . . 1.85 110.292 -178.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 46.5 t -60.9 -46.19 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.475 -0.784 . . . . 0.93 110.956 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.643 ' O ' ' HB2' ' A' ' 936' ' ' LEU . 5.4 mt -57.73 -43.62 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 1.18 111.095 -178.148 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -48.25 70.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.793 0.294 . . . . 1.9 111.793 -176.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . 0.425 ' H ' ' HG3' ' A' ' 934' ' ' GLN . 0.7 OUTLIER -66.49 -41.97 88.13 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 2.25 111.202 -176.245 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 3.9 m -72.89 -41.99 64.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.599 0.222 . . . . 0.62 111.599 -178.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 932' ' ' ILE . 0.3 OUTLIER -67.07 -49.04 66.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.471 0.177 . . . . 0.86 110.799 -176.833 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 6.6 m -65.55 -36.45 83.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.508 -0.314 . . . . 0.87 111.038 -178.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.57 -41.79 98.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.804 0.335 . . . . 1.42 110.793 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 943' ' ' VAL . 13.1 m-30 -82.93 -28.63 29.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.441 -0.345 . . . . 1.59 111.265 -177.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.03 84.19 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.526 -0.546 . . . . 0.61 109.526 174.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.98 76.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.87 109.421 174.09 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -59.49 -47.59 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 3.11 110.916 -178.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 939' ' ' TYR . 2.5 m -74.85 -33.63 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.859 -0.337 . . . . 0.75 110.747 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -40.93 98.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 3.58 110.811 178.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -18.76 37.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.633 0.254 . . . . 2.78 110.985 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 31.2 m -65.72 -33.38 75.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.138 0.494 . . . . 1.34 109.85 175.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.15 -45.51 10.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 3.53 109.855 172.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . 0.42 ' HB3' ' H ' ' A' ' 949' ' ' SER . 5.4 t70 67.95 -89.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.939 -1.028 . . . . 2.64 111.182 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 948' ' ' ASP . 3.1 m . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.731 -0.652 . . . . 5.09 109.979 -179.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.647 0.261 . . . . 7.01 111.054 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -151.76 83.7 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 5.35 110.465 178.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 10.0 p -155.76 143.9 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.401 -0.363 . . . . 5.29 110.754 -178.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 12.9 m -113.87 136.73 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.429 -0.582 . . . . 4.72 109.429 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -130.82 134.22 46.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.631 -0.259 . . . . 4.74 111.295 -172.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -165.92 81.08 0.29 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.35 0.595 . . . . 4.86 111.717 178.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.9 52.03 2.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.773 0.797 . . . . 5.08 109.582 172.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.46 61.3 6.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.046 -0.979 . . . . 3.99 111.674 -171.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.06 95.35 4.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 1.9 110.306 177.274 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.419 ' H ' ' HG2' ' A' ' 826' ' ' MET . 0.8 OUTLIER -83.54 121.54 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 1.93 110.659 179.232 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.785 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.5 mm -118.57 143.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.47 109.947 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.573 HD11 HG13 ' A' ' 863' ' ' VAL . 0.8 OUTLIER -99.51 103.8 15.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.381 -0.372 . . . . 1.37 110.76 -178.756 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.582 HG13 HD22 ' A' ' 844' ' ' LEU . 1.1 m -88.54 95.23 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.711 0.767 . . . . 1.06 109.648 175.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 874' ' ' SER . 4.0 t -106.75 131.29 57.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.38 -0.827 . . . . 1.07 109.857 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 875' ' ' ASP . 0.8 OUTLIER -157.07 135.32 11.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.033 -0.358 . . . . 1.3 110.033 171.883 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.31 -4.3 58.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.114 -0.494 . . . . 2.03 112.197 -174.126 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 834' ' ' PRO . 1.9 t-160 -118.86 85.28 27.92 Favored Pre-proline 0 N--CA 1.465 0.29 0 O-C-N 122.042 -0.412 . . . . 2.12 110.791 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 833' ' ' HIS . 10.3 Cg_exo -22.43 -49.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.827 1 C-N-CA 126.506 4.804 . . . . 1.12 117.561 -168.091 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -36.67 48.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 CA-C-N 118.242 0.474 . . . . 2.26 111.74 -177.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -44.44 61.02 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.747 -0.464 . . . . 1.83 109.747 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.509 ' HD3' HG22 ' A' ' 853' ' ' THR . 0.1 OUTLIER -53.97 -40.84 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.006 0.522 . . . . 2.78 110.908 175.489 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 839' ' ' LEU . 0.0 OUTLIER -56.82 -51.35 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 2.75 110.485 178.053 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . 0.502 ' N ' ' HD3' ' A' ' 838' ' ' ARG . 0.9 OUTLIER -78.09 -25.45 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.852 -0.613 . . . . 1.14 111.072 -173.769 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' A' ' 829' ' ' VAL . 23.0 tp -71.69 -43.44 65.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.563 -0.744 . . . . 1.43 109.951 178.19 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.56 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.872 -0.603 . . . . 0.6 110.114 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -59.83 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 1.34 109.772 175.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.689 ' HG3' HD23 ' A' ' 929' ' ' LEU . 0.0 OUTLIER -58.78 -47.95 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 1.85 110.858 178.129 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.785 HD21 ' HB ' ' A' ' 827' ' ' ILE . 16.1 tp -61.78 -37.55 84.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 1.24 111.229 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.92 -27.01 72.43 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.009 -0.615 . . . . 0.52 112.02 178.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 1.7 m -77.02 -25.08 52.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.7 110.158 176.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 844' ' ' LEU . 4.0 mt -77.81 -24.36 48.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.373 176.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 88.37 21.14 45.86 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.828 -0.701 . . . . 0.62 112.759 177.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' A' ' 847' ' ' LEU . 18.7 m-85 -105.41 171.11 7.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.764 0.316 . . . . 1.22 110.437 179.245 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.63 118.66 20.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 2.38 110.748 -178.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . 0.595 ' HA ' HD23 ' A' ' 844' ' ' LEU . 0.0 OUTLIER -95.51 99.81 11.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.941 0.4 . . . . 0.94 111.211 -179.45 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -89.02 122.33 32.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.307 -0.627 . . . . 1.44 109.307 175.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.509 HG22 ' HD3' ' A' ' 837' ' ' ARG . 0.0 OUTLIER -90.45 137.72 32.13 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 0.62 112.567 -171.217 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.51 ' HB3' HG22 ' A' ' 830' ' ' VAL . . . -155.67 168.3 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.178 -0.675 . . . . 0.47 109.178 173.714 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' A' ' 856' ' ' ASP . 8.1 p-10 -151.46 73.18 1.07 Allowed 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.025 -0.67 . . . . 1.9 112.782 -177.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 31.3 t70 163.73 157.73 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.663 0.785 . . . . 1.45 109.518 173.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . -65.45 -50.07 57.34 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.86 . . . . 0.58 111.944 178.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.641 ' HA ' HD13 ' A' ' 861' ' ' LEU . 0.0 OUTLIER -74.0 -28.5 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.768 0.318 . . . . 0.95 110.763 179.377 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.765 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 27.6 t0 -57.08 -34.41 68.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.352 -0.386 . . . . 0.84 110.527 176.358 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.604 ' O ' ' HB2' ' A' ' 864' ' ' LEU . . . -58.73 -33.63 70.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.97 -0.559 . . . . 0.51 110.699 177.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . 0.641 HD13 ' HA ' ' A' ' 858' ' ' VAL . 7.4 mp -71.07 -41.08 71.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 1.85 110.246 178.426 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -51.93 67.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.484 -0.78 . . . . 1.72 110.557 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.573 HG13 HD11 ' A' ' 828' ' ' LEU . 7.7 p -69.38 -32.34 52.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.389 -0.369 . . . . 0.89 110.934 -179.503 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 897' ' ' LEU . 0.2 OUTLIER -64.03 -38.02 89.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.16 0.505 . . . . 1.66 111.079 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 15.1 m -72.6 -30.51 64.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.071 -0.513 . . . . 0.82 110.856 179.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -38.84 47.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 3.46 110.924 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -145.29 130.44 18.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.623 -0.51 . . . . 1.86 109.623 178.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 84.1 7.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.121 0.486 . . . . 3.12 111.702 -174.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.493 HD13 ' HG ' ' A' ' 828' ' ' LEU . 2.8 mp -68.64 147.6 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.153 -0.93 . . . . 1.06 109.871 171.351 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 897' ' ' LEU . 5.4 t0 -84.86 -52.81 5.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.974 0.416 . . . . 1.64 111.796 -174.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 827' ' ' ILE . 18.9 mm -108.49 121.49 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.592 -0.276 . . . . 1.03 110.425 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 828' ' ' LEU . 13.2 t -110.13 132.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.887 -0.325 . . . . 0.67 110.862 -178.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 900' ' ' ILE . 0.0 OUTLIER -130.33 111.16 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.79 -0.448 . . . . 0.87 109.79 173.12 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.596 ' HA ' ' HB ' ' A' ' 830' ' ' VAL . 0.3 OUTLIER -102.49 102.66 12.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 0.73 111.201 -176.383 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.612 ' HA ' ' HB ' ' A' ' 902' ' ' VAL . 50.4 t0 -89.16 120.84 30.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.703 -0.68 . . . . 1.34 110.052 176.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.15 125.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.155 -0.475 . . . . 1.29 110.857 -176.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.939 ' HB2' ' HE2' ' A' ' 925' ' ' LYS . 32.1 t30 -105.38 -30.31 9.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.797 -0.816 . . . . 2.55 108.797 178.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.66 83.14 21.3 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.672 -1.149 . . . . 3.66 110.696 179.629 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.533 ' HB2' ' H ' ' A' ' 880' ' ' ASN . 1.9 Cg_endo -82.57 -118.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.884 2.389 . . . . 3.48 111.396 178.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . 0.533 ' H ' ' HB2' ' A' ' 879' ' ' PRO . 31.1 t30 -172.77 -99.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.509 -0.552 . . . . 4.87 109.509 177.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.412 ' H ' ' HB3' ' A' ' 880' ' ' ASN . 0.0 OUTLIER -91.33 90.15 7.59 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.82 -0.437 . . . . 5.58 109.82 177.602 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 72.63 -48.79 0.69 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.599 0.76 . . . . 4.99 111.745 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . 118.57 1.84 15.23 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.462 -0.875 . . . . 3.04 113.605 175.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.723 ' HB3' ' HG3' ' A' ' 912' ' ' GLN . 0.0 OUTLIER -64.82 -34.84 79.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.668 1.223 . . . . 2.84 112.013 -178.788 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.71 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -63.46 -26.19 68.61 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.323 -0.853 . . . . 3.36 112.95 -158.109 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.506 ' H ' ' HG ' ' A' ' 886' ' ' LEU . 0.1 OUTLIER -70.12 -31.0 68.33 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.329 1.061 . . . . 2.34 108.355 -169.184 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.77 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 2.9 m -79.23 -26.83 42.46 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.815 -1.538 . . . . 1.28 109.182 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 916' ' ' GLU . 2.9 tm0? -60.79 -45.82 92.9 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.586 -0.734 . . . . 2.17 109.808 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -39.03 83.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.44 -0.8 . . . . 2.36 110.371 175.241 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 887' ' ' THR . 71.4 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.881 0.372 . . . . 1.71 111.076 175.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -43.99 97.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 2.24 110.67 178.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -61.3 -36.06 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 2.62 110.485 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -38.49 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 1.91 110.805 177.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 87.71 56.01 2.19 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.853 -0.899 . . . . 1.12 110.853 -172.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.445 HD22 HG22 ' A' ' 890' ' ' ILE . 0.5 OUTLIER -44.95 134.99 5.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.276 0.631 . . . . 2.89 112.464 -179.838 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.22 22.9 13.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.546 -0.752 . . . . 2.49 110.278 176.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 864' ' ' LEU . 0.4 OUTLIER -157.93 156.23 27.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 1.4 109.937 -175.633 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.753 ' HB2' ' HE2' ' A' ' 939' ' ' TYR . 3.1 Cg_exo -75.92 138.33 20.75 Favored 'Trans proline' 0 C--O 1.244 0.778 0 C-N-CA 122.962 2.441 . . . . 0.73 112.813 -177.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 41.6 t -116.12 125.77 73.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.794 -0.639 . . . . 0.64 111.52 -178.501 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 921' ' ' SER . 0.8 OUTLIER -103.55 108.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.615 -0.72 . . . . 0.64 109.646 175.1 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -86.96 109.75 3.47 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.409 -0.9 . . . . 0.48 112.18 -177.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.612 ' HB ' ' HA ' ' A' ' 875' ' ' ASP . 0.7 OUTLIER -90.33 94.81 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.774 -0.824 . . . . 1.04 108.774 176.048 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 924' ' ' SER . 0.8 OUTLIER -102.21 138.59 38.95 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.166 -0.47 . . . . 0.89 111.736 -172.214 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -89.68 104.26 16.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.353 -0.385 . . . . 1.19 110.539 176.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 24.3 t30 55.13 49.39 17.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.375 -0.829 . . . . 2.7 112.276 176.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . . . . . . . . . . . -92.29 83.68 5.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 2.81 109.777 176.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 132.25 27.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.837 -0.62 . . . . 3.93 111.096 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 61.83 56.52 2.37 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.815 -0.63 . . . . 2.09 110.613 -177.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.47 -38.07 76.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.719 -0.673 . . . . 3.31 110.657 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 910' ' ' GLU . 2.4 pm0 -62.15 -30.95 71.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 3.58 110.575 179.11 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -77.65 -30.8 52.32 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.474 -0.33 . . . . 2.29 110.761 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.723 ' HG3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -66.82 -40.57 88.09 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.312 -1.366 . . . . 2.65 107.312 172.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.673 ' HA ' ' OE1' ' A' ' 916' ' ' GLU . 5.4 ttp180 -58.25 -30.24 66.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.552 -0.749 . . . . 4.05 111.501 178.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 59.0 m -68.34 -39.75 81.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.02 0.438 . . . . 1.65 110.233 173.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 915' ' ' LEU . 0.2 OUTLIER -72.97 -54.5 8.46 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.444 0.535 . . . . 1.88 112.444 -177.849 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.77 ' HB2' ' HB ' ' A' ' 887' ' ' THR . 0.0 OUTLIER -79.89 -46.06 17.49 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.339 -0.144 . . . . 3.47 111.387 -175.941 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 36.4 m 51.56 52.18 15.21 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.465 0.913 . . . . 1.35 113.465 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -142.96 24.38 2.26 Favored Glycine 0 C--O 1.227 -0.323 0 C-N-CA 120.198 -1.001 . . . . 1.02 112.581 176.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.755 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.6 ttm -107.06 -118.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.528 0.204 . . . . 2.01 111.443 -174.125 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 919' ' ' MET . 26.2 t0 166.65 -56.87 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.044 0.938 . . . . 1.26 108.853 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . 0.505 ' HB2' HG23 ' A' ' 900' ' ' ILE . 1.3 m -138.04 157.1 47.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.47 -0.786 . . . . 1.26 110.059 177.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.557 ' SG ' ' HD3' ' A' ' 913' ' ' ARG . 39.2 m -127.86 144.32 51.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.821 0.343 . . . . 1.13 110.981 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.594 HD12 HG22 ' A' ' 902' ' ' VAL . 0.0 OUTLIER -137.01 -175.51 4.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.732 -0.84 . . . . 0.69 108.732 176.537 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 903' ' ' THR . 75.2 m -120.75 160.24 23.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.358 -0.238 . . . . 0.89 110.358 178.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.939 ' HE2' ' HB2' ' A' ' 877' ' ' ASN . 1.3 tttp -44.94 -47.29 30.1 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 113.225 0.824 . . . . 1.11 113.225 -179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 925' ' ' LYS . 23.4 Cg_exo -66.92 72.44 0.47 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.314 2.009 . . . . 1.01 112.744 175.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.75 155.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.208 -0.451 . . . . 1.36 110.062 174.278 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.16 171.13 14.93 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.204 . . . . 0.92 110.877 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -57.93 -46.89 84.33 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 122.56 0.344 . . . . 0.92 111.803 -175.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.61 -41.22 79.87 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.886 -0.326 . . . . 1.85 110.802 -177.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.08 -45.02 99.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.93 110.483 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 847' ' ' LEU . 2.2 tt -67.17 -32.1 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.887 -0.597 . . . . 1.18 110.527 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . 0.535 ' HB3' ' HE2' ' A' ' 933' ' ' LYS . 0.0 OUTLIER -65.95 -41.19 91.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 1.9 109.962 177.488 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -60.97 -45.1 96.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 2.25 110.615 179.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -44.95 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.62 110.978 179.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.718 ' HG ' HD13 ' A' ' 847' ' ' LEU . 0.7 OUTLIER -58.56 -52.28 66.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.86 111.138 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 58.0 m -61.61 -43.55 98.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.988 -0.551 . . . . 0.87 111.359 -178.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -45.14 88.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.948 0.404 . . . . 1.42 110.958 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.753 ' HE2' ' HB2' ' A' ' 898' ' ' PRO . 6.1 m-85 -69.76 -53.14 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 1.59 111.322 -176.648 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . . . . . . . . . . . -56.65 -41.92 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.61 111.016 -178.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.01 -48.43 76.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.342 -0.39 . . . . 1.87 110.853 178.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 942' ' ' ARG . 5.5 ptm180 -65.46 -36.48 84.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 3.11 111.587 -173.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 26.4 m -77.03 -31.7 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.514 -0.474 . . . . 0.75 110.429 179.028 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -49.77 60.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.213 -0.449 . . . . 3.58 110.764 179.085 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.09 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.441 -0.345 . . . . 2.78 111.443 -175.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 19.6 m -76.02 -51.62 11.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.874 -0.33 . . . . 1.34 110.99 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -65.71 -43.18 89.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 3.53 111.188 -176.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.14 72.92 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.159 0.504 . . . . 2.64 110.215 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.666 -0.697 . . . . 5.09 110.145 178.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 16.5 mttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.619 0.247 . . . . 7.01 110.527 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -110.13 70.82 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.104 0.478 . . . . 5.35 110.731 -178.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.87 5.46 7.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.009 -0.541 . . . . 5.29 110.317 179.088 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 820' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.86 92.4 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.0 -0.545 . . . . 4.72 110.492 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.91 125.07 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.071 -0.513 . . . . 4.74 110.631 -178.41 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 822' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.79 56.89 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 115.374 -0.83 . . . . 4.86 109.385 172.513 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 823' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.61 41.5 0.64 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.107 -0.951 . . . . 5.08 109.571 173.456 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -85.06 47.78 1.46 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.949 -1.023 . . . . 3.99 110.943 -174.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 825' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.05 91.77 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.822 -0.626 . . . . 1.9 109.551 178.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 826' ' ' MET . . . . . 0.562 ' HA ' ' HB3' ' A' ' 850' ' ' GLN . 0.0 OUTLIER -101.93 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.9 -0.591 . . . . 1.93 110.562 -178.333 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 827' ' ' ILE . . . . . 0.968 ' HB ' HD21 ' A' ' 844' ' ' LEU . 1.6 mm -110.01 141.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.015 -0.993 . . . . 0.47 109.747 -179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.418 HD21 HG11 ' A' ' 863' ' ' VAL . 1.1 mt -94.74 111.74 23.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.328 -0.397 . . . . 1.37 110.806 -179.119 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.773 HG23 HD23 ' A' ' 840' ' ' LEU . 0.3 OUTLIER -97.98 104.21 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.981 -0.748 . . . . 1.06 108.981 175.154 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 830' ' ' VAL . . . . . 0.7 HG13 ' HB3' ' A' ' 854' ' ' ALA . 0.7 OUTLIER -119.84 89.76 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.548 -0.751 . . . . 1.07 111.347 -172.127 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 836' ' ' ASN . 9.3 t0 -111.88 134.4 53.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.362 -0.535 . . . . 1.3 110.23 -178.425 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 832' ' ' ASP . . . . . 0.628 ' HA ' ' OD1' ' A' ' 855' ' ' ASN . 0.0 OUTLIER -68.85 -29.81 68.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.536 -0.756 . . . . 2.03 111.34 -178.901 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 833' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.62 122.77 40.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 2.12 110.833 -176.371 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 834' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -47.72 -40.88 31.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.819 3.013 . . . . 1.12 114.083 -175.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -47.06 95.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.646 0.26 . . . . 2.26 111.662 -175.185 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 836' ' ' ASN . . . . . 0.676 ' HB2' ' OD2' ' A' ' 831' ' ' ASP . 0.1 OUTLIER -82.51 -22.23 35.16 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.537 -0.465 . . . . 1.83 110.191 -178.247 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 837' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 837' ' ' ARG . 32.6 ttm180 -59.12 -52.17 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 2.78 110.433 176.194 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -32.94 71.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 2.75 110.902 -179.213 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 839' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -38.81 75.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 1.14 111.224 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.773 HD23 HG23 ' A' ' 829' ' ' VAL . 25.9 tp -70.94 -37.6 72.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.919 -0.582 . . . . 1.43 110.083 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.66 71.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.6 110.111 175.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 842' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -66.79 -45.43 78.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.722 -0.672 . . . . 1.34 109.946 175.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 843' ' ' GLN . . . . . 0.507 ' HG2' HD23 ' A' ' 929' ' ' LEU . 0.1 OUTLIER -57.49 -47.12 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.766 -0.652 . . . . 1.85 110.258 176.133 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.968 HD21 ' HB ' ' A' ' 827' ' ' ILE . 5.6 tp -62.15 -41.24 98.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.24 110.926 179.391 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 845' ' ' GLY . . . . . . . . . . . . . . . -65.27 -30.55 78.02 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.877 -0.601 . . . . 0.52 112.089 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 846' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 -25.28 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.7 110.379 177.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 847' ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' ' 936' ' ' LEU . 0.1 OUTLIER -73.87 -40.66 63.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 1.56 110.216 175.564 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 848' ' ' GLY . . . . . . . . . . . . . . . 107.02 13.67 20.94 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.785 -0.643 . . . . 0.62 112.104 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 849' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -105.28 156.02 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.611 0.243 . . . . 1.22 110.51 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 850' ' ' GLN . . . . . 0.562 ' HB3' ' HA ' ' A' ' 826' ' ' MET . 0.0 OUTLIER -63.96 132.01 49.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.38 110.784 -177.658 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 851' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.21 101.94 9.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 0.94 110.731 -178.572 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 852' ' ' LYS . . . . . 0.593 ' HG2' HD11 ' A' ' 869' ' ' ILE . 1.2 mptt -89.86 110.97 21.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.171 -0.678 . . . . 1.44 109.171 176.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 853' ' ' THR . . . . . 0.414 ' HA ' HG13 ' A' ' 829' ' ' VAL . 0.0 OUTLIER -89.92 126.83 35.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.038 0.447 . . . . 0.62 111.926 -171.075 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB3' HG13 ' A' ' 830' ' ' VAL . . . -142.66 177.65 8.17 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.767 -0.651 . . . . 0.47 110.332 178.017 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 855' ' ' ASN . . . . . 0.628 ' OD1' ' HA ' ' A' ' 832' ' ' ASP . 4.6 t30 -153.69 74.16 0.99 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.117 0.484 . . . . 1.9 110.064 -174.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 856' ' ' ASP . . . . . 0.804 ' HB3' ' HB2' ' A' ' 859' ' ' ASP . 9.7 t70 160.14 143.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.57 -1.196 . . . . 1.45 108.848 173.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 886' ' ' LEU . . . -65.6 -40.75 96.16 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.372 -0.918 . . . . 0.58 112.072 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 858' ' ' VAL . 0.0 OUTLIER -73.43 -31.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.651 0.263 . . . . 0.95 110.334 178.114 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 859' ' ' ASP . . . . . 0.804 ' HB2' ' HB3' ' A' ' 856' ' ' ASP . 36.0 t0 -60.64 -40.79 93.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.943 0.402 . . . . 0.84 110.425 175.423 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 830' ' ' VAL . . . -63.37 -43.05 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.51 110.981 178.771 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 861' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -34.86 70.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.102 -0.499 . . . . 1.85 110.848 -178.023 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 862' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -42.2 80.05 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.467 0.651 . . . . 1.72 110.045 176.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.418 HG11 HD21 ' A' ' 828' ' ' LEU . 1.8 t -61.66 -32.81 54.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.395 -0.821 . . . . 0.89 109.581 176.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 864' ' ' LEU . . . . . 0.983 ' HG ' HD21 ' A' ' 897' ' ' LEU . 1.8 tm? -68.14 -36.09 79.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.644 -0.707 . . . . 1.66 111.232 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 865' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -41.94 84.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.766 0.317 . . . . 0.82 110.864 -176.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 866' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -31.72 25.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 3.46 111.378 -179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 867' ' ' ASN . . . . . 0.715 HD22 HD12 ' A' ' 869' ' ' ILE . 9.3 t30 -128.52 121.31 28.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.968 0.414 . . . . 1.86 110.658 -177.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 868' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -78.34 78.58 4.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.053 -0.521 . . . . 3.12 111.742 -174.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 869' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 867' ' ' ASN . 0.2 OUTLIER -71.91 147.41 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.882 -0.599 . . . . 1.06 109.761 175.571 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 870' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.71 -60.36 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.777 0.322 . . . . 1.64 111.317 -174.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.723 ' HB ' HG23 ' A' ' 827' ' ' ILE . 8.2 mm -115.06 143.55 24.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.883 -0.414 . . . . 1.03 109.883 -179.076 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.17 127.4 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.741 -0.384 . . . . 0.67 111.268 -178.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.77 HD23 HD12 ' A' ' 900' ' ' ILE . 0.0 OUTLIER -120.65 99.35 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.514 -0.55 . . . . 0.87 109.514 173.085 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 5.6 p -97.75 103.92 15.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.08 0.467 . . . . 0.73 110.016 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 875' ' ' ASP . . . . . 0.51 ' CG ' ' HZ2' ' A' ' 925' ' ' LYS . 30.5 t0 -90.78 114.24 26.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.427 -0.806 . . . . 1.34 110.187 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 876' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 886' ' ' LEU . 7.0 t -104.54 106.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.571 -0.74 . . . . 1.29 110.561 -177.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 904' ' ' ALA . 1.4 t30 -79.47 -15.9 56.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.913 -0.773 . . . . 2.55 108.913 177.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 878' ' ' MET . . . . . . . . . . . . . 34.7 ttm -76.36 106.43 3.26 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.263 -1.335 . . . . 3.66 109.897 178.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 879' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 880' ' ' ASN . 73.0 Cg_endo -81.9 -87.32 0.0 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.586 2.191 . . . . 3.48 113.248 -172.591 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 880' ' ' ASN . . . . . 0.403 ' H ' ' HG2' ' A' ' 879' ' ' PRO . 46.4 t30 -79.77 59.8 3.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 4.87 110.749 -176.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.79 67.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.163 -0.471 . . . . 5.58 111.366 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.97 39.94 19.47 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.864 -0.607 . . . . 4.99 112.209 172.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . -71.34 -3.05 51.99 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.27 -0.49 . . . . 3.04 113.118 -178.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 884' ' ' TYR . . . . . 0.978 ' HB3' ' HB3' ' A' ' 912' ' ' GLN . 24.0 p90 -107.49 -27.55 10.34 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.867 1.318 . . . . 2.84 109.908 178.174 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 885' ' ' ARG . . . . . 0.619 ' O ' ' HD2' ' A' ' 885' ' ' ARG . 0.0 OUTLIER -60.38 -25.02 65.56 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 113.862 -1.517 . . . . 3.36 111.049 -163.242 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.656 ' HB2' ' HA3' ' A' ' 857' ' ' GLY . 0.4 OUTLIER -68.39 -34.95 76.94 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.052 0.93 . . . . 2.34 108.768 -170.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 887' ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' ' 916' ' ' GLU . 6.1 m -73.8 -26.93 60.87 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.911 -1.495 . . . . 1.28 109.702 178.312 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -59.46 -46.54 88.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.678 -0.692 . . . . 2.17 110.054 175.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.515 ' HA ' ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER -62.24 -35.21 78.23 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.046 -0.525 . . . . 2.36 110.615 176.485 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 890' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 887' ' ' THR . 89.2 mt -62.43 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.71 110.781 177.284 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 892' ' ' GLN . 0.0 OUTLIER -67.79 -38.98 84.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 2.24 110.64 179.11 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 892' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 1.5 tp60 -59.39 -46.11 89.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 2.62 110.719 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 893' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -30.66 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.614 -0.721 . . . . 1.91 111.423 -177.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 894' ' ' GLY . . . . . . . . . . . . . . . 101.24 81.16 1.56 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.607 -0.806 . . . . 1.12 111.136 -176.083 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 895' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 890' ' ' ILE . 0.4 OUTLIER -82.27 160.82 22.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.694 0.759 . . . . 2.89 112.651 -172.345 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 896' ' ' THR . . . . . . . . . . . . . 1.2 m -128.7 -4.74 5.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.248 -1.342 . . . . 2.49 107.849 172.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.983 HD21 ' HG ' ' A' ' 864' ' ' LEU . 0.9 OUTLIER -80.07 147.93 66.63 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 113.726 -1.579 . . . . 1.4 112.894 -167.225 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.534 ' HG2' HD13 ' A' ' 871' ' ' ILE . 3.0 Cg_endo -87.97 98.31 0.42 Allowed 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.285 2.656 . . . . 0.73 109.471 162.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 899' ' ' VAL . . . . . 0.796 ' HB ' ' HA ' ' A' ' 919' ' ' MET . 6.1 t -99.32 115.56 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.371 0.605 . . . . 0.64 111.755 -172.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.77 HD12 HD23 ' A' ' 873' ' ' LEU . 0.1 OUTLIER -101.32 104.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.332 -0.849 . . . . 0.64 109.406 174.184 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 922' ' ' CYS . . . -96.42 117.56 5.75 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.735 -0.745 . . . . 0.48 112.393 -177.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 902' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 923' ' ' LEU . 4.1 t -87.29 137.26 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.431 -0.581 . . . . 1.04 109.431 177.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 903' ' ' THR . . . . . . . . . . . . . 15.8 p -120.29 132.74 55.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.784 0.326 . . . . 0.89 111.238 -176.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.664 ' HB2' ' HD3' ' A' ' 925' ' ' LYS . . . -108.53 102.48 11.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.19 110.636 175.338 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 905' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 48.29 15.8 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.514 -0.766 . . . . 2.7 111.78 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 906' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 909' ' ' GLU . . . -81.49 -20.84 39.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.566 -0.288 . . . . 2.81 111.181 -178.33 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.55 112.76 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.33 0.652 . . . . 3.93 112.336 177.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . 55.54 48.9 17.75 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.157 -0.929 . . . . 2.09 110.84 179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.503 ' CG ' ' HB3' ' A' ' 906' ' ' ALA . 1.4 mp0 -64.9 -17.43 64.31 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.146 -0.934 . . . . 3.31 110.32 179.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 910' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 913' ' ' ARG . 5.2 mt-10 -62.91 -37.91 88.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.351 -0.386 . . . . 3.58 110.157 174.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -41.31 60.98 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.302 -0.408 . . . . 2.29 110.545 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 912' ' ' GLN . . . . . 0.978 ' HB3' ' HB3' ' A' ' 884' ' ' TYR . 0.9 OUTLIER -63.52 -27.46 69.28 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.291 0.567 . . . . 2.65 109.581 175.719 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 913' ' ' ARG . . . . . 0.724 ' HA ' ' OE2' ' A' ' 916' ' ' GLU . 0.2 OUTLIER -64.62 -48.99 72.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.374 -0.83 . . . . 4.05 111.275 178.38 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 914' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -27.52 66.05 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.455 -0.572 . . . . 1.65 109.455 175.458 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 915' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 884' ' ' TYR . 0.3 OUTLIER -68.48 -51.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.136 -0.938 . . . . 1.88 111.552 179.121 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 916' ' ' GLU . . . . . 0.724 ' OE2' ' HA ' ' A' ' 913' ' ' ARG . 0.4 OUTLIER -79.59 -44.85 20.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.184 -1.006 . . . . 3.47 111.199 -176.183 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 13.3 m 49.17 49.44 19.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.73 1.011 . . . . 1.35 113.73 178.222 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 918' ' ' GLY . . . . . . . . . . . . . . . -147.08 24.95 1.59 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.32 -0.943 . . . . 1.02 112.679 174.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 919' ' ' MET . . . . . 0.796 ' HA ' ' HB ' ' A' ' 899' ' ' VAL . 1.9 ttm -103.38 -114.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.126 0.489 . . . . 2.01 111.217 -171.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' A' ' 919' ' ' MET . 7.8 t70 174.01 -51.66 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.462 -0.94 . . . . 1.26 108.462 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 921' ' ' SER . . . . . . . . . . . . . 15.2 m -162.59 152.97 16.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.471 -0.786 . . . . 1.26 110.432 177.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 922' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 901' ' ' GLY . 3.3 m -108.97 151.41 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.439 -0.346 . . . . 1.13 110.767 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 923' ' ' LEU . . . . . 0.439 ' HB2' HG22 ' A' ' 902' ' ' VAL . 67.9 mt -125.62 167.58 14.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.69 111.101 -178.758 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 924' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.92 146.44 24.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.17 -0.468 . . . . 0.89 110.073 178.63 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.664 ' HD3' ' HB2' ' A' ' 904' ' ' ALA . 1.5 tptt -47.87 -44.6 59.03 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.926 1.084 . . . . 1.11 113.926 -177.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 926' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.28 59.04 1.86 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.108 1.872 . . . . 1.01 112.956 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 927' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.92 112.33 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.745 0.307 . . . . 1.36 110.304 175.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.75 160.72 15.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.262 -0.426 . . . . 0.92 110.52 178.619 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.507 HD23 ' HG2' ' A' ' 843' ' ' GLN . 1.0 OUTLIER -53.14 -45.47 68.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.921 0.391 . . . . 0.92 111.112 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 930' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.41 -40.05 70.73 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.945 -0.302 . . . . 1.85 111.222 -177.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 931' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -35.12 71.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.944 -0.302 . . . . 0.93 110.817 -177.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 929' ' ' LEU . 0.9 OUTLIER -71.25 -30.58 40.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 120.99 -0.284 . . . . 1.18 110.288 175.088 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 933' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.49 -41.73 84.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.332 . . . . 1.9 110.501 178.077 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 934' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.76 -49.07 79.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 2.25 110.361 178.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 935' ' ' THR . . . . . . . . . . . . . 1.3 m -66.87 -37.67 84.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.925 -0.58 . . . . 0.62 111.321 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' ' 847' ' ' LEU . 0.3 OUTLIER -60.9 -54.56 43.52 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.48 -0.327 . . . . 0.86 110.279 178.297 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 937' ' ' THR . . . . . . . . . . . . . 10.1 m -57.22 -42.86 82.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.729 -0.669 . . . . 0.87 110.822 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 938' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 941' ' ' GLU . 0.1 OUTLIER -55.93 -52.27 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.414 0.626 . . . . 1.42 111.008 179.377 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 939' ' ' TYR . . . . . 0.606 ' HB3' HD12 ' A' ' 871' ' ' ILE . 4.4 m-85 -74.19 -32.02 62.9 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.126 -0.488 . . . . 1.59 111.094 -175.566 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 940' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 944' ' ' ARG . . . -63.69 -41.89 98.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 0.61 110.267 177.18 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 938' ' ' LEU . 2.8 pt-20 -64.18 -36.15 83.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.312 -0.404 . . . . 1.87 110.51 178.082 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' A' ' 939' ' ' TYR . 56.1 mtt180 -66.95 -48.34 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.371 . . . . 3.11 110.855 -178.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 943' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 947' ' ' ARG . 18.6 m -72.03 -31.17 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.456 -0.338 . . . . 0.75 111.068 -178.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 944' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 940' ' ' ALA . 0.1 OUTLIER -70.58 -46.28 63.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.229 -0.188 . . . . 3.58 110.842 179.333 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.403 ' HA ' ' OG ' ' A' ' 949' ' ' SER . 0.0 OUTLIER -71.11 -24.34 62.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 2.78 111.251 -177.864 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 946' ' ' SER . . . . . . . . . . . . . 15.3 m -86.21 -21.78 27.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.671 0.272 . . . . 1.34 111.374 177.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 947' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 943' ' ' VAL . 0.4 OUTLIER -93.78 -62.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 3.53 111.332 -176.924 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 948' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -126.74 58.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.306 0.574 . . . . 2.64 110.939 -171.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 949' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 945' ' ' LYS . 19.5 m . . . . . 0 C--O 1.247 0.958 0 N-CA-C 109.104 -0.702 . . . . 5.09 109.104 175.739 . . . . . . . . 1 1 . 1 stop_ save_