data_6c0a_residue ############################ # Computer software used # ############################ 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 6c0a _Structure_validation_residue.Date_analyzed 2019-01-11 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 ' 829' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.765 0.317 . . . . 10.0 110.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 60.1 mmm -61.03 -49.07 78.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.642 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.89 89.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 10.0 110.169 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.7 m -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -50.94 61.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -46.86 -47.24 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.416 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.07 -32.15 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.687 0.279 . . . . 10.0 111.255 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.13 -47.31 85.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.091 0.472 . . . . 10.0 110.549 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -82.07 -31.46 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.312 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 102.52 65.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.954 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.1 t0 54.63 38.74 30.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.724 0.773 . . . . 10.0 111.33 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 81.7 mttt -120.36 137.04 54.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.76 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.98 -3.33 54.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.735 0.778 . . . . 10.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . 0.429 ' OH ' ' HA3' ' A' ' 869' ' ' GLY . 0.3 OUTLIER -130.5 145.95 51.95 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 14.5 tt -132.74 152.34 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.119 0.262 . . . . 10.0 110.465 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.44 138.72 57.76 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 123.79 0.681 . . . . 10.0 109.844 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 16.8 ptp -63.4 -41.27 98.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.872 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . 0.429 ' O ' ' HD2' ' A' ' 850' ' ' ARG . 3.0 t70 -76.46 -28.5 56.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.41 -0.516 . . . . 10.0 111.032 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -47.71 75.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.017 0.437 . . . . 10.0 110.282 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -28.13 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -74.56 -17.48 60.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.597 0.713 . . . . 10.0 109.483 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 846' ' ' ASP . 0.0 OUTLIER -87.03 -26.3 23.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.844 178.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.79 -51.0 5.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.19 149.49 36.0 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.186 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -60.14 146.41 96.29 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.231 1.954 . . . . 10.0 110.888 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -40.64 -42.42 4.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.287 2.658 . . . . 10.0 113.672 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.03 -52.59 65.09 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.107 0.479 . . . . 10.0 112.124 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.2 -43.36 61.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.422 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.27 84.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 10.0 111.766 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.02 -42.05 97.23 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.09 -43.02 99.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 864' ' ' MET . 96.7 m -62.27 -46.93 86.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.456 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.42 -44.27 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.943 0.401 . . . . 10.0 110.906 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.98 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.515 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -81.33 -11.95 59.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.891 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 56.9 mtt -77.85 170.6 16.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.085 0.469 . . . . 10.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . 0.428 ' HB2' ' OG ' ' A' ' 881' ' ' SER . . . -121.77 153.37 60.05 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.763 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.16 92.06 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.881 2.387 . . . . 10.0 113.52 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 20.21 -76.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 O-C-N 125.473 1.733 . . . . 10.0 114.941 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 86.1 m 64.49 106.43 0.03 OUTLIER 'General case' 0 C--O 1.235 0.311 0 CA-C-O 122.112 0.958 . . . . 10.0 113.186 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . 0.429 ' HA3' ' OH ' ' A' ' 842' ' ' TYR . . . -179.1 -161.96 27.57 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 115.048 -0.978 . . . . 10.0 111.488 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -86.85 5.65 5.71 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.129 2.553 . . . . 10.0 111.989 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.22 117.56 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.171 0.51 . . . . 10.0 110.759 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' SER . . . . . 0.484 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 47.3 t -69.43 105.61 2.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.524 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 873' ' ' VAL . 4.5 m -93.08 104.32 11.59 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.092 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 872' ' ' SER . 7.7 Cg_exo -69.93 139.15 38.97 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.347 2.031 . . . . 10.0 112.328 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 76.46 2.9 76.27 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -129.75 138.28 51.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 4.9 mp -127.09 161.92 27.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.757 0.313 . . . . 10.0 111.327 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 24.6 t70 -64.66 118.88 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -83.69 -28.42 28.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.577 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 65.1 ttp -56.08 -29.56 60.74 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.397 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 881' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 865' ' ' ALA . 63.5 m -66.26 -32.58 74.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 860' ' ' CYS . 74.4 t80 -67.52 -46.77 71.88 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.986 0.422 . . . . 10.0 109.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 887' ' ' TYR . 0.1 OUTLIER -66.27 -29.11 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.807 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 79.8 m -74.32 -43.72 55.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.772 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.79 88.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.59 0.709 . . . . 10.0 110.169 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 58.9 tp -77.26 -20.5 55.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 887' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 883' ' ' SER . 10.7 t80 -74.37 -37.35 63.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.943 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -79.16 108.93 2.77 Favored Glycine 0 C--O 1.224 -0.47 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.733 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.735 0.302 . . . . 10.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 27.7 mt -63.84 -47.55 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.134 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.98 -42.51 97.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.949 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.22 -40.96 97.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1657 ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' B' 1661 ' ' PHE . 36.8 t80 -61.87 -47.39 85.22 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.96 -42.87 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.769 0.795 . . . . 10.0 109.521 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -59.76 -57.21 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.548 -1.205 . . . . 10.0 111.232 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.12 -24.8 65.06 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1661 ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' B' 1657 ' ' TYR . 24.2 t80 -64.05 -40.97 97.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.761 0.315 . . . . 10.0 110.318 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1662 ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' B' 1666 ' ' GLU . 43.3 mttm -58.85 -48.61 80.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.428 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -63.92 -39.6 94.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -59.89 -41.89 92.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.219 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.8 tptt -68.29 -34.66 76.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1666 ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' B' 1662 ' ' LYS . 56.9 mt-10 -68.43 -23.37 64.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.22 0.533 . . . . 10.0 110.508 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.83 -57.65 2.79 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.439 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.756 -1.024 . . . . 10.0 112.07 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.226 -0.143 0 CA-C-O 120.838 0.352 . . . . 10.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.9 mmm -61.72 -45.24 94.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.465 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.156 0.503 . . . . 10.0 110.187 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 20.1 m -62.56 -40.75 97.84 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.686 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -52.67 63.88 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.204 -1.035 . . . . 10.0 108.204 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -45.88 -48.67 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.234 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.12 -36.65 77.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.726 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.83 -39.29 73.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.976 0.417 . . . . 10.0 111.929 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.32 -8.89 59.36 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.746 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 840' ' ' LYS . . . 79.2 52.45 4.86 Favored Glycine 0 N--CA 1.462 0.418 0 C-N-CA 121.373 -0.442 . . . . 10.0 112.359 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.4 t70 67.85 -18.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.233 1.013 . . . . 10.0 112.617 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 838' ' ' GLY . 37.5 mtmt -64.62 138.77 58.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -76.3 -12.4 60.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.393 0.616 . . . . 10.0 109.999 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . 0.617 ' CD1' HG23 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -117.68 134.53 54.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.848 179.126 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.03 155.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.84 137.96 55.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.155 0.502 . . . . 10.0 111.247 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 34.8 ttp -56.87 -50.02 73.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.619 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -23.7 60.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.391 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -51.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.97 0.414 . . . . 10.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.22 -26.16 67.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . 0.472 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 29.5 ttp180 -74.53 -27.66 60.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.621 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -30.15 33.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -82.14 -70.09 0.57 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.052 -0.976 . . . . 10.0 110.23 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.98 148.74 92.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -55.07 139.62 80.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.701 2.268 . . . . 10.0 111.272 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -38.7 -50.42 2.46 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.813 3.009 . . . . 10.0 114.08 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.04 -45.47 86.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.167 0.508 . . . . 10.0 111.609 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.4 -46.0 61.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.186 -0.915 . . . . 10.0 110.302 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.53 -53.14 61.05 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.663 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -56.14 -39.96 73.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.19 0.519 . . . . 10.0 110.272 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -65.36 -44.09 88.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.416 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 864' ' ' MET . 71.7 m -65.81 -37.48 86.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.634 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 857' ' ' ALA . 93.9 mt -60.81 -40.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -74.96 -27.1 60.04 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.899 0.38 . . . . 10.0 110.971 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -92.66 16.44 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.095 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 49.3 mtt -103.73 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.818 -0.551 . . . . 10.0 110.373 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -125.63 153.11 72.85 Favored Pre-proline 0 N--CA 1.439 -0.981 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 868' ' ' THR . 19.5 Cg_endo -60.69 90.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.848 2.365 . . . . 10.0 113.258 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . 0.531 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 24.61 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.068 1.747 . . . . 10.0 114.933 179.002 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 866' ' ' PRO . 83.2 m 65.6 97.54 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.814 0.816 . . . . 10.0 111.818 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.81 -169.44 33.86 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.523 -0.846 . . . . 10.0 111.923 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -85.23 7.52 5.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.789 2.326 . . . . 10.0 111.502 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -148.82 114.33 5.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.354 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' SER . . . . . 0.523 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 35.7 t -73.92 93.81 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.534 . . . . 10.0 109.768 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 842' ' ' TYR . 17.6 m -80.21 130.69 64.94 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.629 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.99 132.55 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.985 2.457 . . . . 10.0 112.682 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 74.55 11.96 82.6 Favored Glycine 0 CA--C 1.51 -0.235 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.983 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -130.19 138.26 50.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.8 158.82 38.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.883 0.373 . . . . 10.0 111.629 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 22.2 t70 -67.08 116.18 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.338 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -85.85 -21.37 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.739 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 34.0 ttp -57.69 -31.52 66.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.331 0.586 . . . . 10.0 111.19 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 66.9 m -64.68 -33.62 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -67.75 -46.87 70.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.943 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -32.11 73.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.209 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.9 m -71.1 -46.17 62.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.339 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.78 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.209 0.528 . . . . 10.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.874 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -63.33 -39.08 93.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.623 0.249 . . . . 10.0 110.649 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -77.17 87.32 0.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.858 -0.687 . . . . 10.0 111.954 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.914 0.387 . . . . 10.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.04 -41.0 67.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1655 ' ' GLN . . . . . 0.555 ' O ' ' HD3' ' B' 1659 ' ' ARG . 52.0 mt-30 -64.36 -43.28 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.29 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.862 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1657 ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' B' 1661 ' ' PHE . 41.1 t80 -66.21 -33.19 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.27 -41.28 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.399 0.618 . . . . 10.0 109.61 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1659 ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' B' 1655 ' ' GLN . 0.9 OUTLIER -67.52 -41.4 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.092 -0.958 . . . . 10.0 110.934 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1660 ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' B' 1657 ' ' TYR . 0.0 OUTLIER -76.22 -26.28 55.92 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.961 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1661 ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' B' 1657 ' ' TYR . 19.1 t80 -63.22 -40.87 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.173 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 38.7 mttm -63.81 -46.54 84.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.17 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.33 -46.06 76.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.064 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 21.0 tptt -64.37 -27.6 69.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.033 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.49 -6.85 59.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.667 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -106.09 -75.26 0.63 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.981 0.42 . . . . 10.0 111.146 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.029 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.225 -0.232 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 42.6 mmm -58.9 -48.56 81.01 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.403 0.44 . . . . 10.0 111.172 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.91 89.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.2 m -61.87 -41.45 97.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.809 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -55.71 26.69 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -45.16 -45.28 11.37 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.363 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.53 -44.79 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.788 0.327 . . . . 10.0 110.394 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -40.94 86.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.599 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.81 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.287 -0.869 . . . . 10.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 90.89 58.0 1.54 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.926 -0.654 . . . . 10.0 112.101 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.08 30.0 18.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.294 0.569 . . . . 10.0 111.883 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 63.8 mttt -118.19 145.0 45.28 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.256 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.05 -9.97 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 10.0 110.155 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.81 135.64 52.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.193 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 18.9 tt -115.89 154.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.668 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.12 137.93 51.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.271 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.9 ptp -60.12 -40.13 88.65 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.423 0.452 . . . . 10.0 111.638 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.49 -35.3 63.22 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.07 66.97 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.317 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.58 70.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.802 0.334 . . . . 10.0 110.302 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . 0.461 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 37.8 ttp180 -71.97 -25.15 61.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.796 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -21.88 30.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.608 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.68 -68.29 0.75 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.585 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 31.7 mt -79.32 148.14 70.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.66 143.53 68.74 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.612 2.208 . . . . 10.0 111.399 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -38.56 -46.77 2.53 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 124.377 3.385 . . . . 10.0 113.906 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.28 -48.54 80.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.97 0.414 . . . . 10.0 111.85 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -72.49 -40.33 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.371 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -57.39 -51.91 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.459 0.475 . . . . 10.0 111.223 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.49 -40.51 78.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.646 0.26 . . . . 10.0 110.858 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -65.31 -44.08 88.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.36 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 864' ' ' MET . 79.7 m -63.12 -44.17 96.35 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.551 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.41 -45.92 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.87 62.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.258 -0.428 . . . . 10.0 112.046 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -93.24 -6.2 48.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 59.6 mtt -84.91 165.38 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' A' ' 881' ' ' SER . . . -118.65 151.74 50.33 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.58 103.14 0.09 OUTLIER 'Trans proline' 0 C--O 1.22 -0.415 0 C-N-CA 122.951 2.434 . . . . 10.0 113.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 13.98 -70.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.614 1.966 . . . . 10.0 115.929 178.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 25.7 m 67.79 94.45 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.79 0.723 . . . . 10.0 111.252 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.68 178.64 48.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.111 -1.042 . . . . 10.0 113.546 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.43 5.4 3.73 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.415 2.744 . . . . 10.0 113.114 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -146.77 108.02 4.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.972 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' SER . . . . . 0.411 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 36.7 t -71.11 101.5 2.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.072 -0.967 . . . . 10.0 110.132 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -87.56 124.84 67.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.936 -1.029 . . . . 10.0 111.286 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.19 131.03 4.12 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.943 2.429 . . . . 10.0 112.367 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 78.94 3.93 88.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.112 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -121.72 145.42 48.05 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 1.0 OUTLIER -131.66 155.13 48.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.751 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 29.3 t70 -63.41 111.59 2.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.766 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.23 -28.43 53.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.715 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 51.0 ttp -56.28 -31.96 64.11 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.333 0.587 . . . . 10.0 110.581 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 881' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' A' ' 865' ' ' ALA . 43.2 m -64.27 -31.24 72.36 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.444 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.82 -51.06 36.84 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.841 0.353 . . . . 10.0 110.56 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.2 m -64.17 -37.52 87.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 99.4 m -66.2 -41.69 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.41 0.624 . . . . 10.0 109.935 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.25 65.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.139 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 tp -81.23 -26.62 35.73 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.577 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -64.09 -35.64 81.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.335 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -82.41 95.93 1.81 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.573 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.647 0.26 . . . . 10.0 110.468 179.592 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.595 0.236 . . . . 10.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.21 -45.07 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.27 0.557 . . . . 10.0 109.851 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -67.35 -33.91 76.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.627 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.85 -33.5 73.92 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 30.1 t80 -66.71 -40.59 88.51 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.424 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -65.5 -38.41 89.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.951 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -68.88 -43.94 74.3 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.615 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1660 ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' B' 1664 ' ' ARG . 0.1 OUTLIER -78.49 -12.71 60.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.797 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 87.4 t80 -80.02 -44.54 19.98 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.11 -44.84 83.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.609 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 61.3 mttp -67.37 -29.42 68.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.482 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1664 ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' B' 1660 ' ' LYS . 7.6 tmm_? -72.08 -26.33 62.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.251 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.03 -28.1 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.611 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.68 -22.58 58.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.221 0.534 . . . . 10.0 110.23 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -88.92 -48.88 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.79 0 CA-C-O 119.046 -0.864 . . . . 10.0 111.183 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 38.0 mmm -62.05 -46.17 90.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.466 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.72 94.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.046 0.451 . . . . 10.0 109.873 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.9 m -64.81 -40.85 95.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.714 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -62.42 -51.74 66.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.36 -49.73 33.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.154 -0.93 . . . . 10.0 110.151 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.43 -45.17 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 O-C-N 123.253 0.345 . . . . 10.0 110.742 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 7.7 tp -50.58 -48.32 57.7 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.115 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -80.08 -35.49 36.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.521 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.436 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 109.87 62.47 0.52 Allowed Glycine 0 C--O 1.236 0.231 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.921 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.2 t70 53.7 39.89 30.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.494 0.664 . . . . 10.0 110.211 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 68.8 mttt -115.23 134.86 54.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 879' ' ' TYR . 10.1 t30 -78.88 -22.12 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.824 0.821 . . . . 10.0 109.358 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . 0.606 ' CD1' HG23 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -115.43 121.82 43.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.444 -1.253 . . . . 10.0 109.855 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 20.2 tt -103.45 150.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.996 0.427 . . . . 10.0 110.964 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.88 138.13 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.753 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' MET . . . . . 0.574 ' HG3' ' N ' ' A' ' 846' ' ' ASP . 7.4 ptp -62.02 -45.11 95.04 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.88 0.738 . . . . 10.0 111.772 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . 0.574 ' N ' ' HG3' ' A' ' 845' ' ' MET . 0.9 OUTLIER -69.27 -33.99 74.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 -179.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.63 -50.17 72.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.609 0.242 . . . . 10.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -28.29 68.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.215 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . 0.532 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 26.3 ttp180 -74.81 -25.74 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.118 0.485 . . . . 10.0 110.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -28.61 50.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.523 0.678 . . . . 10.0 109.657 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.48 -68.59 0.69 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.574 -1.194 . . . . 10.0 111.303 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.07 153.92 80.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.57 153.2 43.41 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.909 1.739 . . . . 10.0 110.818 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.87 -57.33 2.24 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.766 2.311 . . . . 10.0 113.547 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.56 -40.02 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.35 -53.96 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.52 -44.32 80.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.076 -0.511 . . . . 10.0 112.027 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -61.74 -38.56 88.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 10.0 110.357 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.76 -44.02 78.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.575 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 864' ' ' MET . 72.7 m -62.59 -39.93 95.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.423 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.05 -37.8 74.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.533 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -79.42 -17.86 53.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.997 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -102.32 21.5 14.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.139 0.495 . . . . 10.0 111.658 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 55.1 mtt -108.84 -175.53 2.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 10.0 110.195 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -125.41 149.66 65.2 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.24 97.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.937 2.425 . . . . 10.0 112.569 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 878' ' ' ASP . 0.1 OUTLIER 23.54 -77.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.864 1.666 . . . . 10.0 115.479 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 40.5 m 66.76 101.76 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.725 0.641 . . . . 10.0 111.733 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 178.73 175.67 45.97 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.543 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.15 5.46 2.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.23 2.62 . . . . 10.0 112.395 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.17 108.42 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.641 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 t -69.32 91.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.32 0.581 . . . . 10.0 110.955 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 842' ' ' TYR . 10.8 m -79.21 123.36 84.75 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.195 -0.911 . . . . 10.0 111.593 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.71 131.0 6.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.351 2.034 . . . . 10.0 112.104 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.9 86.03 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.274 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -128.11 143.6 51.07 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.374 -0.486 . . . . 10.0 110.064 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 0.8 OUTLIER -129.36 155.62 45.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.315 -178.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 7.8 t0 -60.78 118.1 6.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.213 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . 0.467 ' CE1' ' HB3' ' A' ' 833' ' ' PHE . 1.2 p90 -86.71 -27.32 23.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.669 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.17 -35.66 73.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.132 0.491 . . . . 10.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.3 m -63.93 -36.98 85.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.426 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.11 -44.73 94.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.0 m -63.89 -33.11 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.134 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 28.4 m -70.03 -50.42 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.771 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.37 73.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.231 0.539 . . . . 10.0 110.512 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 27.9 tp -75.21 -25.6 58.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.381 -0.827 . . . . 10.0 111.064 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.23 -37.54 61.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -71.69 118.31 7.02 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.888 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.825 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1654 ' ' ILE . . . . . 0.448 HD13 HG23 ' B' 1654 ' ' ILE . 33.5 mt -64.93 -43.43 96.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.67 -48.16 82.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.711 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.75 -35.48 80.21 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -64.06 -46.76 82.93 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.804 0.335 . . . . 10.0 110.309 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.84 -39.94 95.9 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1659 ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' B' 1663 ' ' LYS . 12.1 ttp180 -63.78 -55.03 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.458 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -27.69 69.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.533 0.206 . . . . 10.0 111.087 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.17 -41.88 96.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.25 0.548 . . . . 10.0 110.06 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1662 ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' B' 1666 ' ' GLU . 42.1 mttm -62.66 -41.92 99.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.617 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1663 ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' 1659 ' ' ARG . 20.9 mtpp -65.32 -38.78 91.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.446 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.95 -43.28 91.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.612 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 45.2 tptt -64.78 -28.7 69.75 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1666 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' 1662 ' ' LYS . 41.1 mt-10 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.506 0.67 . . . . 10.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -87.02 -60.07 2.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.121 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.916 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.399 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 111.301 0.112 . . . . 10.0 111.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 2.1 49.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.707 0.765 . . . . 10.0 110.377 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.11 -166.15 1.32 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.495 -1.23 . . . . 10.0 110.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' THR . . . . . 0.587 ' O ' HG22 ' A' ' 829' ' ' VAL . 1.8 m -133.83 15.38 3.95 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.163 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.28 18.02 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.11 -1.07 . . . . 10.0 108.11 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -36.99 81.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.669 -1.151 . . . . 10.0 109.426 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -70.48 -46.81 63.03 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 825' ' ' THR . 42.6 t -60.24 -39.26 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.181 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 60.1 mmm -61.03 -49.07 78.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.642 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.89 89.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 10.0 110.169 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.7 m -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -50.94 61.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -46.86 -47.24 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.416 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.07 -32.15 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.687 0.279 . . . . 10.0 111.255 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.13 -47.31 85.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.091 0.472 . . . . 10.0 110.549 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -82.07 -31.46 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.312 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 102.52 65.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.954 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.1 t0 54.63 38.74 30.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.724 0.773 . . . . 10.0 111.33 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 81.7 mttt -120.36 137.04 54.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.76 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.98 -3.33 54.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.735 0.778 . . . . 10.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . 0.429 ' OH ' ' HA3' ' A' ' 869' ' ' GLY . 0.3 OUTLIER -130.5 145.95 51.95 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 14.5 tt -132.74 152.34 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.119 0.262 . . . . 10.0 110.465 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.44 138.72 57.76 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 123.79 0.681 . . . . 10.0 109.844 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 16.8 ptp -63.4 -41.27 98.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.872 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . 0.429 ' O ' ' HD2' ' A' ' 850' ' ' ARG . 3.0 t70 -76.46 -28.5 56.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.41 -0.516 . . . . 10.0 111.032 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -47.71 75.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.017 0.437 . . . . 10.0 110.282 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -28.13 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -74.56 -17.48 60.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.597 0.713 . . . . 10.0 109.483 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' A' ' 846' ' ' ASP . 0.0 OUTLIER -87.03 -26.3 23.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.844 178.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.79 -51.0 5.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.19 149.49 36.0 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.186 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -60.14 146.41 96.29 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.231 1.954 . . . . 10.0 110.888 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -40.64 -42.42 4.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.287 2.658 . . . . 10.0 113.672 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.03 -52.59 65.09 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.107 0.479 . . . . 10.0 112.124 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.2 -43.36 61.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.422 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.27 84.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 10.0 111.766 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.02 -42.05 97.23 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.09 -43.02 99.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 864' ' ' MET . 96.7 m -62.27 -46.93 86.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.456 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.42 -44.27 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.943 0.401 . . . . 10.0 110.906 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.98 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.515 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -81.33 -11.95 59.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.891 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.593 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 56.9 mtt -77.85 170.6 16.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.085 0.469 . . . . 10.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . 0.428 ' HB2' ' OG ' ' A' ' 881' ' ' SER . . . -121.77 153.37 60.05 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.763 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.16 92.06 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.881 2.387 . . . . 10.0 113.52 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 20.21 -76.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 O-C-N 125.473 1.733 . . . . 10.0 114.941 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 86.1 m 64.49 106.43 0.03 OUTLIER 'General case' 0 C--O 1.235 0.311 0 CA-C-O 122.112 0.958 . . . . 10.0 113.186 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . 0.429 ' HA3' ' OH ' ' A' ' 842' ' ' TYR . . . -179.1 -161.96 27.57 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 115.048 -0.978 . . . . 10.0 111.488 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -86.85 5.65 5.71 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.129 2.553 . . . . 10.0 111.989 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.22 117.56 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.171 0.51 . . . . 10.0 110.759 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' SER . . . . . 0.484 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 47.3 t -69.43 105.61 2.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.524 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 873' ' ' VAL . 4.5 m -93.08 104.32 11.59 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.092 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 872' ' ' SER . 7.7 Cg_exo -69.93 139.15 38.97 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.347 2.031 . . . . 10.0 112.328 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 76.46 2.9 76.27 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -129.75 138.28 51.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 4.9 mp -127.09 161.92 27.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.757 0.313 . . . . 10.0 111.327 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 24.6 t70 -64.66 118.88 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -83.69 -28.42 28.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.577 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 65.1 ttp -56.08 -29.56 60.74 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.397 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 865' ' ' ALA . 63.5 m -66.26 -32.58 74.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 860' ' ' CYS . 74.4 t80 -67.52 -46.77 71.88 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.986 0.422 . . . . 10.0 109.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 887' ' ' TYR . 0.1 OUTLIER -66.27 -29.11 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.807 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 79.8 m -74.32 -43.72 55.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.772 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.79 88.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.59 0.709 . . . . 10.0 110.169 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 58.9 tp -77.26 -20.5 55.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 883' ' ' SER . 10.7 t80 -74.37 -37.35 63.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.943 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -79.16 108.93 2.77 Favored Glycine 0 C--O 1.224 -0.47 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.733 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 155.46 16.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 16.9 m -100.34 14.97 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.19 0.519 . . . . 10.0 110.667 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . 0.498 ' HB3' ' NZ ' ' B' 1665 ' ' LYS . 26.2 t0 -157.21 43.3 0.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.757 0.789 . . . . 10.0 109.369 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.661 179.858 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.093 -0.403 . . . . 10.0 112.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -57.15 -39.27 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.817 0.341 . . . . 10.0 110.588 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.97 -33.15 71.7 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.243 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.82 -40.85 63.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.019 0.438 . . . . 10.0 110.047 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1650 ' ' ALA . . . . . 0.543 ' O ' HG13 ' B' 1654 ' ' ILE . . . -60.94 -45.37 94.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.639 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -37.89 87.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.496 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.92 -43.46 86.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.121 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.51 -36.31 83.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.204 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1654 ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' 1650 ' ' ALA . 27.7 mt -63.84 -47.55 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.134 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.98 -42.51 97.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.949 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.22 -40.96 97.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1657 ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' B' 1661 ' ' PHE . 36.8 t80 -61.87 -47.39 85.22 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.96 -42.87 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.769 0.795 . . . . 10.0 109.521 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -59.76 -57.21 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.548 -1.205 . . . . 10.0 111.232 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.12 -24.8 65.06 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1661 ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' B' 1657 ' ' TYR . 24.2 t80 -64.05 -40.97 97.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.761 0.315 . . . . 10.0 110.318 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1662 ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' B' 1666 ' ' GLU . 43.3 mttm -58.85 -48.61 80.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.428 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -63.92 -39.6 94.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -59.89 -41.89 92.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.219 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1665 ' ' LYS . . . . . 0.498 ' NZ ' ' HB3' ' A' ' 891' ' ' ASP . 25.8 tptt -68.29 -34.66 76.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1666 ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' B' 1662 ' ' LYS . 56.9 mt-10 -68.43 -23.37 64.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.22 0.533 . . . . 10.0 110.508 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.83 -57.65 2.79 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.439 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.756 -1.024 . . . . 10.0 112.07 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.32 0.105 . . . . 10.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.67 10.07 32.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.284 0.564 . . . . 10.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -100.43 -160.24 0.79 Allowed 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.873 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.88 11.85 3.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.871 0.843 . . . . 10.0 109.04 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -89.34 -48.45 7.34 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.473 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.59 69.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -68.14 -57.64 5.74 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.5 t -57.34 -38.41 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.861 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.9 mmm -61.72 -45.24 94.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.465 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.156 0.503 . . . . 10.0 110.187 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 20.1 m -62.56 -40.75 97.84 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.686 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -52.67 63.88 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.204 -1.035 . . . . 10.0 108.204 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -45.88 -48.67 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.234 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.12 -36.65 77.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.726 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' 1647 ' ' LYS . 4.2 mp -70.83 -39.29 73.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.976 0.417 . . . . 10.0 111.929 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.32 -8.89 59.36 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.746 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 840' ' ' LYS . . . 79.2 52.45 4.86 Favored Glycine 0 N--CA 1.462 0.418 0 C-N-CA 121.373 -0.442 . . . . 10.0 112.359 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.4 t70 67.85 -18.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.233 1.013 . . . . 10.0 112.617 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 838' ' ' GLY . 37.5 mtmt -64.62 138.77 58.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -76.3 -12.4 60.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.393 0.616 . . . . 10.0 109.999 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . 0.617 ' CD1' HG23 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -117.68 134.53 54.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.848 179.126 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.03 155.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.84 137.96 55.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.155 0.502 . . . . 10.0 111.247 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 34.8 ttp -56.87 -50.02 73.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.619 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -23.7 60.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.391 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -51.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.97 0.414 . . . . 10.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.22 -26.16 67.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . 0.472 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 29.5 ttp180 -74.53 -27.66 60.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.621 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -30.15 33.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -82.14 -70.09 0.57 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.052 -0.976 . . . . 10.0 110.23 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.98 148.74 92.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -55.07 139.62 80.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.701 2.268 . . . . 10.0 111.272 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -38.7 -50.42 2.46 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.813 3.009 . . . . 10.0 114.08 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.04 -45.47 86.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.167 0.508 . . . . 10.0 111.609 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.4 -46.0 61.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.186 -0.915 . . . . 10.0 110.302 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.53 -53.14 61.05 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.663 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -56.14 -39.96 73.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.19 0.519 . . . . 10.0 110.272 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -65.36 -44.09 88.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.416 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 864' ' ' MET . 71.7 m -65.81 -37.48 86.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.634 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 857' ' ' ALA . 93.9 mt -60.81 -40.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -74.96 -27.1 60.04 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.899 0.38 . . . . 10.0 110.971 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -92.66 16.44 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.095 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 49.3 mtt -103.73 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.818 -0.551 . . . . 10.0 110.373 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -125.63 153.11 72.85 Favored Pre-proline 0 N--CA 1.439 -0.981 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 868' ' ' THR . 19.5 Cg_endo -60.69 90.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.848 2.365 . . . . 10.0 113.258 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . 0.531 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 24.61 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.068 1.747 . . . . 10.0 114.933 179.002 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 866' ' ' PRO . 83.2 m 65.6 97.54 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.814 0.816 . . . . 10.0 111.818 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.81 -169.44 33.86 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.523 -0.846 . . . . 10.0 111.923 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -85.23 7.52 5.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.789 2.326 . . . . 10.0 111.502 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -148.82 114.33 5.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.354 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' SER . . . . . 0.523 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 35.7 t -73.92 93.81 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.534 . . . . 10.0 109.768 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 842' ' ' TYR . 17.6 m -80.21 130.69 64.94 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.629 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.99 132.55 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.985 2.457 . . . . 10.0 112.682 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 74.55 11.96 82.6 Favored Glycine 0 CA--C 1.51 -0.235 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.983 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -130.19 138.26 50.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.8 158.82 38.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.883 0.373 . . . . 10.0 111.629 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 22.2 t70 -67.08 116.18 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.338 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -85.85 -21.37 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.739 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 34.0 ttp -57.69 -31.52 66.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.331 0.586 . . . . 10.0 111.19 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 66.9 m -64.68 -33.62 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -67.75 -46.87 70.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.943 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -32.11 73.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.209 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.9 m -71.1 -46.17 62.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.339 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.78 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.209 0.528 . . . . 10.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.874 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -63.33 -39.08 93.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.623 0.249 . . . . 10.0 110.649 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -77.17 87.32 0.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.858 -0.687 . . . . 10.0 111.954 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 163.83 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.7 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.3 m -92.01 -7.23 49.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.31 123.39 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.006 -0.997 . . . . 10.0 108.915 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.414 -0.803 . . . . 10.0 109.2 -179.012 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.373 -0.691 . . . . 10.0 111.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1647 ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 836' ' ' LEU . 11.8 mmtp -62.17 -62.71 1.58 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.027 0.413 . . . . 10.0 111.359 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -63.74 -27.51 69.25 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.472 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1649 ' ' TYR . . . . . 0.592 ' O ' ' HG ' ' B' 1653 ' ' LEU . 64.6 t80 -58.92 -42.09 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -72.52 -38.28 68.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.543 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1651 ' ' THR . . . . . 0.405 ' O ' ' HG3' ' B' 1655 ' ' GLN . 39.6 m -59.47 -47.61 84.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.707 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.89 -37.01 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.376 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1653 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' 1649 ' ' TYR . 39.4 mt -58.12 -42.05 84.94 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.513 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.04 -41.0 67.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1655 ' ' GLN . . . . . 0.555 ' O ' ' HD3' ' B' 1659 ' ' ARG . 52.0 mt-30 -64.36 -43.28 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.29 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.862 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1657 ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' B' 1661 ' ' PHE . 41.1 t80 -66.21 -33.19 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.27 -41.28 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.399 0.618 . . . . 10.0 109.61 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1659 ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' B' 1655 ' ' GLN . 0.9 OUTLIER -67.52 -41.4 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.092 -0.958 . . . . 10.0 110.934 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1660 ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' B' 1657 ' ' TYR . 0.0 OUTLIER -76.22 -26.28 55.92 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.961 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1661 ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' B' 1657 ' ' TYR . 19.1 t80 -63.22 -40.87 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.173 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 38.7 mttm -63.81 -46.54 84.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.17 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.33 -46.06 76.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.064 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 21.0 tptt -64.37 -27.6 69.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.033 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.49 -6.85 59.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.667 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -106.09 -75.26 0.63 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.981 0.42 . . . . 10.0 111.146 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.029 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.788 -0.078 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.42 -15.51 24.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.509 0.671 . . . . 10.0 110.245 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.02 -161.53 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.016 -0.993 . . . . 10.0 110.297 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.73 9.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 10.0 109.692 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.48 -53.15 12.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.859 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.13 -36.43 72.94 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.811 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.32 -42.37 75.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 10.0 110.306 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.85 -42.84 97.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.314 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 42.6 mmm -58.9 -48.56 81.01 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.403 0.44 . . . . 10.0 111.172 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.91 89.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' B' 1650 ' ' ALA . 75.2 m -61.87 -41.45 97.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.809 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -55.71 26.69 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -45.16 -45.28 11.37 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.363 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.53 -44.79 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.788 0.327 . . . . 10.0 110.394 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -40.94 86.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.599 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.81 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.287 -0.869 . . . . 10.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 90.89 58.0 1.54 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.926 -0.654 . . . . 10.0 112.101 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.08 30.0 18.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.294 0.569 . . . . 10.0 111.883 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 63.8 mttt -118.19 145.0 45.28 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.256 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.05 -9.97 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 10.0 110.155 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.81 135.64 52.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.193 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 18.9 tt -115.89 154.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.668 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.12 137.93 51.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.271 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.9 ptp -60.12 -40.13 88.65 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.423 0.452 . . . . 10.0 111.638 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.49 -35.3 63.22 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -52.07 66.97 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.317 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.58 70.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.802 0.334 . . . . 10.0 110.302 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . 0.461 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 37.8 ttp180 -71.97 -25.15 61.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.796 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -21.88 30.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.608 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.68 -68.29 0.75 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.585 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 31.7 mt -79.32 148.14 70.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.66 143.53 68.74 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.612 2.208 . . . . 10.0 111.399 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -38.56 -46.77 2.53 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 124.377 3.385 . . . . 10.0 113.906 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.28 -48.54 80.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.97 0.414 . . . . 10.0 111.85 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -72.49 -40.33 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.371 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -57.39 -51.91 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.459 0.475 . . . . 10.0 111.223 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.49 -40.51 78.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.646 0.26 . . . . 10.0 110.858 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -65.31 -44.08 88.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.36 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 864' ' ' MET . 79.7 m -63.12 -44.17 96.35 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.551 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.41 -45.92 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.87 62.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.258 -0.428 . . . . 10.0 112.046 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -93.24 -6.2 48.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 59.6 mtt -84.91 165.38 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' A' ' 881' ' ' SER . . . -118.65 151.74 50.33 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.58 103.14 0.09 OUTLIER 'Trans proline' 0 C--O 1.22 -0.415 0 C-N-CA 122.951 2.434 . . . . 10.0 113.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 13.98 -70.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.614 1.966 . . . . 10.0 115.929 178.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 25.7 m 67.79 94.45 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.79 0.723 . . . . 10.0 111.252 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.68 178.64 48.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.111 -1.042 . . . . 10.0 113.546 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.43 5.4 3.73 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.415 2.744 . . . . 10.0 113.114 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -146.77 108.02 4.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.972 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' SER . . . . . 0.411 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 36.7 t -71.11 101.5 2.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.072 -0.967 . . . . 10.0 110.132 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -87.56 124.84 67.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.936 -1.029 . . . . 10.0 111.286 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.19 131.03 4.12 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.943 2.429 . . . . 10.0 112.367 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 78.94 3.93 88.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.112 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -121.72 145.42 48.05 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 1.0 OUTLIER -131.66 155.13 48.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.751 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 29.3 t70 -63.41 111.59 2.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.766 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.23 -28.43 53.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.715 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 51.0 ttp -56.28 -31.96 64.11 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.333 0.587 . . . . 10.0 110.581 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' A' ' 865' ' ' ALA . 43.2 m -64.27 -31.24 72.36 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.444 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.82 -51.06 36.84 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.841 0.353 . . . . 10.0 110.56 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.2 m -64.17 -37.52 87.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 99.4 m -66.2 -41.69 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.41 0.624 . . . . 10.0 109.935 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.25 65.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.139 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 tp -81.23 -26.62 35.73 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.577 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -64.09 -35.64 81.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.335 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -82.41 95.93 1.81 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.573 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -85.75 161.88 18.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.647 0.26 . . . . 10.0 110.468 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 48.0 m -76.48 -41.99 45.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.959 0.409 . . . . 10.0 110.677 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -127.98 91.28 3.24 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.278 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.251 1.16 0 CA-C-N 115.21 -0.904 . . . . 10.0 110.176 179.323 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 CA-C-O 120.37 -0.128 . . . . 10.0 112.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -73.27 -65.23 0.84 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -55.34 -34.97 64.69 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.729 1.011 . . . . 10.0 113.729 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 10.0 111.774 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1650 ' ' ALA . . . . . 0.603 ' O ' HG13 ' B' 1654 ' ' ILE . . . -69.4 -42.16 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 1.4 p -71.78 -29.99 65.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 51.0 t80 -65.66 -37.51 86.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.977 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.32 -32.9 69.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.859 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1654 ' ' ILE . . . . . 0.603 HG13 ' O ' ' B' 1650 ' ' ALA . 57.1 mt -66.21 -45.07 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.27 0.557 . . . . 10.0 109.851 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -67.35 -33.91 76.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.627 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.85 -33.5 73.92 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 30.1 t80 -66.71 -40.59 88.51 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.424 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -65.5 -38.41 89.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.951 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -68.88 -43.94 74.3 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.615 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1660 ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' B' 1664 ' ' ARG . 0.1 OUTLIER -78.49 -12.71 60.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.797 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 87.4 t80 -80.02 -44.54 19.98 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.11 -44.84 83.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.609 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 61.3 mttp -67.37 -29.42 68.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.482 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1664 ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' B' 1660 ' ' LYS . 7.6 tmm_? -72.08 -26.33 62.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.251 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.03 -28.1 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.611 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.68 -22.58 58.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.221 0.534 . . . . 10.0 110.23 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -88.92 -48.88 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.79 0 CA-C-O 119.046 -0.864 . . . . 10.0 111.183 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.739 0.304 . . . . 10.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -7.78 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.496 0.665 . . . . 10.0 109.925 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.96 -167.26 1.67 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.022 -0.99 . . . . 10.0 111.427 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 829' ' ' VAL . 0.9 OUTLIER -136.6 9.14 3.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.161 0.982 . . . . 10.0 109.546 179.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -82.99 -46.61 12.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.596 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.0 -41.24 74.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.761 0.791 . . . . 10.0 109.151 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -64.27 -44.63 91.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.375 -1.284 . . . . 10.0 110.926 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 825' ' ' THR . 17.0 t -61.81 -40.47 87.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 38.0 mmm -62.05 -46.17 90.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.466 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.72 94.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.046 0.451 . . . . 10.0 109.873 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.9 m -64.81 -40.85 95.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.714 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -62.42 -51.74 66.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.36 -49.73 33.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.154 -0.93 . . . . 10.0 110.151 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.43 -45.17 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 O-C-N 123.253 0.345 . . . . 10.0 110.742 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 7.7 tp -50.58 -48.32 57.7 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.115 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -80.08 -35.49 36.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.521 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.436 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 109.87 62.47 0.52 Allowed Glycine 0 C--O 1.236 0.231 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.921 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.2 t70 53.7 39.89 30.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.494 0.664 . . . . 10.0 110.211 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 68.8 mttt -115.23 134.86 54.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 879' ' ' TYR . 10.1 t30 -78.88 -22.12 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.824 0.821 . . . . 10.0 109.358 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . 0.606 ' CD1' HG23 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -115.43 121.82 43.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.444 -1.253 . . . . 10.0 109.855 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 20.2 tt -103.45 150.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.996 0.427 . . . . 10.0 110.964 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.88 138.13 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.753 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' MET . . . . . 0.574 ' HG3' ' N ' ' A' ' 846' ' ' ASP . 7.4 ptp -62.02 -45.11 95.04 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.88 0.738 . . . . 10.0 111.772 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . 0.574 ' N ' ' HG3' ' A' ' 845' ' ' MET . 0.9 OUTLIER -69.27 -33.99 74.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 -179.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.63 -50.17 72.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.609 0.242 . . . . 10.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -28.29 68.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.215 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . 0.532 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 26.3 ttp180 -74.81 -25.74 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.118 0.485 . . . . 10.0 110.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -28.61 50.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.523 0.678 . . . . 10.0 109.657 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.48 -68.59 0.69 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.574 -1.194 . . . . 10.0 111.303 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.07 153.92 80.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.353 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.57 153.2 43.41 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.909 1.739 . . . . 10.0 110.818 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.87 -57.33 2.24 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.766 2.311 . . . . 10.0 113.547 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.56 -40.02 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.35 -53.96 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.52 -44.32 80.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.076 -0.511 . . . . 10.0 112.027 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -61.74 -38.56 88.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 10.0 110.357 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.76 -44.02 78.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.575 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 864' ' ' MET . 72.7 m -62.59 -39.93 95.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.423 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.05 -37.8 74.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.533 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -79.42 -17.86 53.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.997 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -102.32 21.5 14.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.139 0.495 . . . . 10.0 111.658 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 55.1 mtt -108.84 -175.53 2.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 10.0 110.195 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -125.41 149.66 65.2 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.24 97.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.937 2.425 . . . . 10.0 112.569 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' A' ' 878' ' ' ASP . 0.1 OUTLIER 23.54 -77.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.864 1.666 . . . . 10.0 115.479 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 40.5 m 66.76 101.76 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.725 0.641 . . . . 10.0 111.733 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 178.73 175.67 45.97 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.543 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.15 5.46 2.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.23 2.62 . . . . 10.0 112.395 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.17 108.42 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.641 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 t -69.32 91.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.32 0.581 . . . . 10.0 110.955 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 842' ' ' TYR . 10.8 m -79.21 123.36 84.75 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.195 -0.911 . . . . 10.0 111.593 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.71 131.0 6.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.351 2.034 . . . . 10.0 112.104 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.9 86.03 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.274 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -128.11 143.6 51.07 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.374 -0.486 . . . . 10.0 110.064 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 0.8 OUTLIER -129.36 155.62 45.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.315 -178.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 7.8 t0 -60.78 118.1 6.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.213 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . 0.467 ' CE1' ' HB3' ' A' ' 833' ' ' PHE . 1.2 p90 -86.71 -27.32 23.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.669 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.17 -35.66 73.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.132 0.491 . . . . 10.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.3 m -63.93 -36.98 85.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.426 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.11 -44.73 94.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.0 m -63.89 -33.11 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.134 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 28.4 m -70.03 -50.42 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.771 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.37 73.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.231 0.539 . . . . 10.0 110.512 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 27.9 tp -75.21 -25.6 58.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.381 -0.827 . . . . 10.0 111.064 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.23 -37.54 61.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -71.69 118.31 7.02 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.888 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.73 152.01 21.72 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 8.0 m -83.89 -26.87 29.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 10.0 109.958 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -139.89 87.85 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.429 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 64.5 tp . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.449 -179.64 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.191 -0.364 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -82.31 -55.75 4.32 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 110.693 -0.114 . . . . 10.0 110.693 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -63.7 -34.04 76.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.381 0.426 . . . . 10.0 110.195 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1649 ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' B' 1653 ' ' LEU . 12.1 t80 -59.97 -42.61 94.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.31 0.576 . . . . 10.0 109.686 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1650 ' ' ALA . . . . . 0.5 ' O ' HG13 ' B' 1654 ' ' ILE . . . -65.0 -44.36 89.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.128 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -42.68 90.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.814 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.16 -34.93 79.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.506 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1653 ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' 1649 ' ' TYR . 95.3 mt -65.17 -42.01 94.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1654 ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' 1650 ' ' ALA . 33.5 mt -64.93 -43.43 96.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.67 -48.16 82.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.711 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.75 -35.48 80.21 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -64.06 -46.76 82.93 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.804 0.335 . . . . 10.0 110.309 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.84 -39.94 95.9 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1659 ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' B' 1663 ' ' LYS . 12.1 ttp180 -63.78 -55.03 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.458 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -27.69 69.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.533 0.206 . . . . 10.0 111.087 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.17 -41.88 96.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.25 0.548 . . . . 10.0 110.06 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1662 ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' B' 1666 ' ' GLU . 42.1 mttm -62.66 -41.92 99.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.617 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1663 ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' 1659 ' ' ARG . 20.9 mtpp -65.32 -38.78 91.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.446 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.95 -43.28 91.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.612 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 45.2 tptt -64.78 -28.7 69.75 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1666 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' 1662 ' ' LYS . 41.1 mt-10 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.506 0.67 . . . . 10.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -87.02 -60.07 2.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.121 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.916 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.399 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.436 HG13 HG12 ' B' 1654 ' ' ILE . 42.6 t . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.765 0.317 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 60.1 mmm -61.03 -49.07 78.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.642 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.89 89.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 10.0 110.169 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.7 m -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -50.94 61.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 834' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 839' ' ' ASP . 1.3 mmtp -46.86 -47.24 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.416 175.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.07 -32.15 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.687 0.279 . . . . 10.0 111.255 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.13 -47.31 85.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.091 0.472 . . . . 10.0 110.549 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -82.07 -31.46 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.312 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 102.52 65.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.954 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' LYS . 17.1 t0 54.63 38.74 30.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.724 0.773 . . . . 10.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 81.7 mttt -120.36 137.04 54.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.76 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.98 -3.33 54.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.735 0.778 . . . . 10.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 869' ' ' GLY . 0.3 OUTLIER -130.5 145.95 51.95 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 14.5 tt -132.74 152.34 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.119 0.262 . . . . 10.0 110.465 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.44 138.72 57.76 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 123.79 0.681 . . . . 10.0 109.844 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 16.8 ptp -63.4 -41.27 98.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.872 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' ASP . . . . . 0.436 ' O ' ' HD2' ' A' ' 850' ' ' ARG . 3.0 t70 -76.46 -28.5 56.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.41 -0.516 . . . . 10.0 111.032 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -47.71 75.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.017 0.437 . . . . 10.0 110.282 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -28.13 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -74.56 -17.48 60.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.597 0.713 . . . . 10.0 109.483 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 846' ' ' ASP . 0.0 OUTLIER -87.03 -26.3 23.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.844 178.204 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.79 -51.0 5.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.19 149.49 36.0 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.186 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -60.14 146.41 96.29 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.231 1.954 . . . . 10.0 110.888 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -40.64 -42.42 4.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.287 2.658 . . . . 10.0 113.672 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.03 -52.59 65.09 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.107 0.479 . . . . 10.0 112.124 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.2 -43.36 61.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.422 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.27 84.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 10.0 111.766 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.02 -42.05 97.23 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.09 -43.02 99.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 864' ' ' MET . 96.7 m -62.27 -46.93 86.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.456 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.42 -44.27 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.943 0.401 . . . . 10.0 110.906 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.98 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.515 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -81.33 -11.95 59.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.891 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 56.9 mtt -77.85 170.6 16.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.085 0.469 . . . . 10.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -121.77 153.37 60.05 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.16 92.06 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.881 2.387 . . . . 10.0 113.52 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 20.21 -76.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 O-C-N 125.473 1.733 . . . . 10.0 114.941 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 86.1 m 64.49 106.43 0.03 OUTLIER 'General case' 0 C--O 1.235 0.311 0 CA-C-O 122.112 0.958 . . . . 10.0 113.186 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 869' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 842' ' ' TYR . . . -179.1 -161.96 27.57 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 115.048 -0.978 . . . . 10.0 111.488 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -86.85 5.65 5.71 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.129 2.553 . . . . 10.0 111.989 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.22 117.56 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.171 0.51 . . . . 10.0 110.759 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 872' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 47.3 t -69.43 105.61 2.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.524 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.5 m -93.08 104.32 11.59 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.092 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 874' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 872' ' ' SER . 7.7 Cg_exo -69.93 139.15 38.97 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.347 2.031 . . . . 10.0 112.328 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 76.46 2.9 76.27 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -129.75 138.28 51.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 4.9 mp -127.09 161.92 27.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.757 0.313 . . . . 10.0 111.327 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 24.6 t70 -64.66 118.88 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -83.69 -28.42 28.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.577 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 65.1 ttp -56.08 -29.56 60.74 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.397 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 63.5 m -66.26 -32.58 74.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 860' ' ' CYS . 74.4 t80 -67.52 -46.77 71.88 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.986 0.422 . . . . 10.0 109.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 887' ' ' TYR . 0.1 OUTLIER -66.27 -29.11 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.807 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 79.8 m -74.32 -43.72 55.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.772 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.79 88.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.59 0.709 . . . . 10.0 110.169 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 58.9 tp -77.26 -20.5 55.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 887' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 883' ' ' SER . 10.7 t80 -74.37 -37.35 63.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.943 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -79.16 108.93 2.77 Favored Glycine 0 C--O 1.224 -0.47 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.733 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.735 0.302 . . . . 10.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1654 ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 829' ' ' VAL . 27.7 mt -63.84 -47.55 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.134 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.98 -42.51 97.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.949 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.22 -40.96 97.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1657 ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' B' 1661 ' ' PHE . 36.8 t80 -61.87 -47.39 85.22 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.96 -42.87 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.769 0.795 . . . . 10.0 109.521 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -59.76 -57.21 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.548 -1.205 . . . . 10.0 111.232 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.12 -24.8 65.06 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1661 ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' B' 1657 ' ' TYR . 24.2 t80 -64.05 -40.97 97.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.761 0.315 . . . . 10.0 110.318 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1662 ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' B' 1666 ' ' GLU . 43.3 mttm -58.85 -48.61 80.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.428 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -63.92 -39.6 94.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -59.89 -41.89 92.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.219 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.8 tptt -68.29 -34.66 76.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1666 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' B' 1662 ' ' LYS . 56.9 mt-10 -68.43 -23.37 64.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.22 0.533 . . . . 10.0 110.508 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.83 -57.65 2.79 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.439 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.756 -1.024 . . . . 10.0 112.07 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.226 -0.143 0 CA-C-O 120.838 0.352 . . . . 10.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.9 mmm -61.72 -45.24 94.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.465 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.156 0.503 . . . . 10.0 110.187 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 20.1 m -62.56 -40.75 97.84 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.686 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -52.67 63.88 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.204 -1.035 . . . . 10.0 108.204 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -45.88 -48.67 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.234 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.12 -36.65 77.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.726 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.83 -39.29 73.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.976 0.417 . . . . 10.0 111.929 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.32 -8.89 59.36 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.746 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 840' ' ' LYS . . . 79.2 52.45 4.86 Favored Glycine 0 N--CA 1.462 0.418 0 C-N-CA 121.373 -0.442 . . . . 10.0 112.359 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.4 t70 67.85 -18.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.233 1.013 . . . . 10.0 112.617 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 838' ' ' GLY . 37.5 mtmt -64.62 138.77 58.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -76.3 -12.4 60.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.393 0.616 . . . . 10.0 109.999 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -117.68 134.53 54.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.848 179.126 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.03 155.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.84 137.96 55.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.155 0.502 . . . . 10.0 111.247 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 34.8 ttp -56.87 -50.02 73.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.619 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -23.7 60.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.391 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -51.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.97 0.414 . . . . 10.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.22 -26.16 67.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 29.5 ttp180 -74.53 -27.66 60.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.621 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -30.15 33.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -82.14 -70.09 0.57 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.052 -0.976 . . . . 10.0 110.23 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.98 148.74 92.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -55.07 139.62 80.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.701 2.268 . . . . 10.0 111.272 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -38.7 -50.42 2.46 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.813 3.009 . . . . 10.0 114.08 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.04 -45.47 86.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.167 0.508 . . . . 10.0 111.609 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.4 -46.0 61.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.186 -0.915 . . . . 10.0 110.302 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.53 -53.14 61.05 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.663 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -56.14 -39.96 73.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.19 0.519 . . . . 10.0 110.272 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -65.36 -44.09 88.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.416 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 864' ' ' MET . 71.7 m -65.81 -37.48 86.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.634 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 861' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 857' ' ' ALA . 93.9 mt -60.81 -40.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -74.96 -27.1 60.04 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.899 0.38 . . . . 10.0 110.971 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -92.66 16.44 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.095 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 49.3 mtt -103.73 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.818 -0.551 . . . . 10.0 110.373 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -125.63 153.11 72.85 Favored Pre-proline 0 N--CA 1.439 -0.981 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 868' ' ' THR . 19.5 Cg_endo -60.69 90.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.848 2.365 . . . . 10.0 113.258 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.95 ' HE2' ' HG ' ' A' ' 872' ' ' SER . 0.0 OUTLIER 24.61 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.068 1.747 . . . . 10.0 114.933 179.002 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 868' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 866' ' ' PRO . 83.2 m 65.6 97.54 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.814 0.816 . . . . 10.0 111.818 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.81 -169.44 33.86 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.523 -0.846 . . . . 10.0 111.923 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -85.23 7.52 5.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.789 2.326 . . . . 10.0 111.502 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -148.82 114.33 5.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.354 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 872' ' ' SER . . . . . 0.95 ' HG ' ' HE2' ' A' ' 867' ' ' TYR . 35.7 t -73.92 93.81 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.534 . . . . 10.0 109.768 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 842' ' ' TYR . 17.6 m -80.21 130.69 64.94 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.629 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.99 132.55 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.985 2.457 . . . . 10.0 112.682 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 74.55 11.96 82.6 Favored Glycine 0 CA--C 1.51 -0.235 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.983 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -130.19 138.26 50.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.8 158.82 38.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.883 0.373 . . . . 10.0 111.629 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 22.2 t70 -67.08 116.18 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.338 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -85.85 -21.37 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.739 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 34.0 ttp -57.69 -31.52 66.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.331 0.586 . . . . 10.0 111.19 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 66.9 m -64.68 -33.62 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -67.75 -46.87 70.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.943 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -32.11 73.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.209 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.9 m -71.1 -46.17 62.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.339 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.78 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.209 0.528 . . . . 10.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.874 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -63.33 -39.08 93.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.623 0.249 . . . . 10.0 110.649 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -77.17 87.32 0.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.858 -0.687 . . . . 10.0 111.954 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.914 0.387 . . . . 10.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.04 -41.0 67.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1655 ' ' GLN . . . . . 0.569 ' O ' ' HD3' ' B' 1659 ' ' ARG . 52.0 mt-30 -64.36 -43.28 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.29 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.862 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1657 ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' B' 1661 ' ' PHE . 41.1 t80 -66.21 -33.19 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.27 -41.28 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.399 0.618 . . . . 10.0 109.61 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1659 ' ' ARG . . . . . 0.569 ' HD3' ' O ' ' B' 1655 ' ' GLN . 0.9 OUTLIER -67.52 -41.4 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.092 -0.958 . . . . 10.0 110.934 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1660 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' 1657 ' ' TYR . 0.0 OUTLIER -76.22 -26.28 55.92 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.961 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1661 ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' B' 1657 ' ' TYR . 19.1 t80 -63.22 -40.87 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.173 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 38.7 mttm -63.81 -46.54 84.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.17 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.33 -46.06 76.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.064 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 21.0 tptt -64.37 -27.6 69.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.033 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.49 -6.85 59.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.667 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -106.09 -75.26 0.63 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.981 0.42 . . . . 10.0 111.146 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.029 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' B' 1654 ' ' ILE . 3.0 t . . . . . 0 C--O 1.225 -0.232 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 42.6 mmm -58.9 -48.56 81.01 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.403 0.44 . . . . 10.0 111.172 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.91 89.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.2 m -61.87 -41.45 97.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.809 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -55.71 26.69 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -45.16 -45.28 11.37 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.363 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.53 -44.79 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.788 0.327 . . . . 10.0 110.394 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -40.94 86.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.599 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.81 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.287 -0.869 . . . . 10.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 90.89 58.0 1.54 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.926 -0.654 . . . . 10.0 112.101 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.08 30.0 18.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.294 0.569 . . . . 10.0 111.883 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 63.8 mttt -118.19 145.0 45.28 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.256 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.05 -9.97 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 10.0 110.155 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.81 135.64 52.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.193 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 18.9 tt -115.89 154.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.668 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 844' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 847' ' ' GLU . 0.1 OUTLIER -70.12 137.93 51.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.271 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.9 ptp -60.12 -40.13 88.65 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.423 0.452 . . . . 10.0 111.638 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.49 -35.3 63.22 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 844' ' ' THR . 0.5 OUTLIER -59.92 -52.07 66.97 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.317 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.58 70.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.802 0.334 . . . . 10.0 110.302 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 849' ' ' ARG . . . . . 0.478 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 37.8 ttp180 -71.97 -25.15 61.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.796 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -21.88 30.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.608 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.68 -68.29 0.75 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.585 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 31.7 mt -79.32 148.14 70.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.66 143.53 68.74 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.612 2.208 . . . . 10.0 111.399 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -38.56 -46.77 2.53 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 124.377 3.385 . . . . 10.0 113.906 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.28 -48.54 80.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.97 0.414 . . . . 10.0 111.85 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -72.49 -40.33 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.371 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -57.39 -51.91 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.459 0.475 . . . . 10.0 111.223 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.49 -40.51 78.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.646 0.26 . . . . 10.0 110.858 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -65.31 -44.08 88.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.36 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 864' ' ' MET . 79.7 m -63.12 -44.17 96.35 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.551 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.41 -45.92 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.87 62.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.258 -0.428 . . . . 10.0 112.046 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -93.24 -6.2 48.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 59.6 mtt -84.91 165.38 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -118.65 151.74 50.33 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.58 103.14 0.09 OUTLIER 'Trans proline' 0 C--O 1.22 -0.415 0 C-N-CA 122.951 2.434 . . . . 10.0 113.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 13.98 -70.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.614 1.966 . . . . 10.0 115.929 178.726 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 25.7 m 67.79 94.45 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.79 0.723 . . . . 10.0 111.252 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.68 178.64 48.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.111 -1.042 . . . . 10.0 113.546 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.43 5.4 3.73 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.415 2.744 . . . . 10.0 113.114 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -146.77 108.02 4.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.972 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 872' ' ' SER . . . . . 0.414 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 36.7 t -71.11 101.5 2.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.072 -0.967 . . . . 10.0 110.132 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -87.56 124.84 67.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.936 -1.029 . . . . 10.0 111.286 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.19 131.03 4.12 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.943 2.429 . . . . 10.0 112.367 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 78.94 3.93 88.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.112 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -121.72 145.42 48.05 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 877' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 1.0 OUTLIER -131.66 155.13 48.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.751 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 29.3 t70 -63.41 111.59 2.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.766 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.23 -28.43 53.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.715 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 51.0 ttp -56.28 -31.96 64.11 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.333 0.587 . . . . 10.0 110.581 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 43.2 m -64.27 -31.24 72.36 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.444 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.82 -51.06 36.84 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.841 0.353 . . . . 10.0 110.56 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.2 m -64.17 -37.52 87.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 99.4 m -66.2 -41.69 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.41 0.624 . . . . 10.0 109.935 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.25 65.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.139 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 tp -81.23 -26.62 35.73 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.577 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -64.09 -35.64 81.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.335 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -82.41 95.93 1.81 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.573 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.647 0.26 . . . . 10.0 110.468 179.592 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.595 0.236 . . . . 10.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1654 ' ' ILE . . . . . 0.574 ' HA ' HG22 ' A' ' 829' ' ' VAL . 57.1 mt -66.21 -45.07 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.27 0.557 . . . . 10.0 109.851 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -67.35 -33.91 76.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.627 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.85 -33.5 73.92 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 30.1 t80 -66.71 -40.59 88.51 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.424 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -65.5 -38.41 89.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.951 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -68.88 -43.94 74.3 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.615 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1660 ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' 1664 ' ' ARG . 0.1 OUTLIER -78.49 -12.71 60.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.797 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 87.4 t80 -80.02 -44.54 19.98 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.11 -44.84 83.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.609 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 61.3 mttp -67.37 -29.42 68.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.482 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1664 ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' B' 1660 ' ' LYS . 7.6 tmm_? -72.08 -26.33 62.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.251 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.03 -28.1 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.611 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.68 -22.58 58.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.221 0.534 . . . . 10.0 110.23 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -88.92 -48.88 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.79 0 CA-C-O 119.046 -0.864 . . . . 10.0 111.183 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 38.0 mmm -62.05 -46.17 90.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.466 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.72 94.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.046 0.451 . . . . 10.0 109.873 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.9 m -64.81 -40.85 95.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.714 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -62.42 -51.74 66.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.36 -49.73 33.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.154 -0.93 . . . . 10.0 110.151 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.43 -45.17 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 O-C-N 123.253 0.345 . . . . 10.0 110.742 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.635 HD21 ' HG3' ' A' ' 851' ' ' GLU . 7.7 tp -50.58 -48.32 57.7 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.115 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -80.08 -35.49 36.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.521 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 109.87 62.47 0.52 Allowed Glycine 0 C--O 1.236 0.231 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.921 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.2 t70 53.7 39.89 30.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.494 0.664 . . . . 10.0 110.211 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 68.8 mttt -115.23 134.86 54.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' ASN . . . . . 0.454 ' O ' ' HD2' ' A' ' 879' ' ' TYR . 10.1 t30 -78.88 -22.12 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.824 0.821 . . . . 10.0 109.358 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.444 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -115.43 121.82 43.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.444 -1.253 . . . . 10.0 109.855 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 20.2 tt -103.45 150.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.996 0.427 . . . . 10.0 110.964 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.88 138.13 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.753 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 846' ' ' ASP . 7.4 ptp -62.02 -45.11 95.04 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.88 0.738 . . . . 10.0 111.772 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 846' ' ' ASP . . . . . 0.581 ' N ' ' HG3' ' A' ' 845' ' ' MET . 0.9 OUTLIER -69.27 -33.99 74.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 -179.084 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.63 -50.17 72.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.609 0.242 . . . . 10.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -28.29 68.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.215 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 849' ' ' ARG . . . . . 0.546 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 26.3 ttp180 -74.81 -25.74 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.118 0.485 . . . . 10.0 110.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -28.61 50.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.523 0.678 . . . . 10.0 109.657 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.635 ' HG3' HD21 ' A' ' 836' ' ' LEU . 63.0 mm-40 -82.48 -68.59 0.69 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.574 -1.194 . . . . 10.0 111.303 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.455 HD21 HD12 ' B' 1654 ' ' ILE . 14.6 mt -78.07 153.92 80.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.353 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.57 153.2 43.41 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.909 1.739 . . . . 10.0 110.818 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.87 -57.33 2.24 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.766 2.311 . . . . 10.0 113.547 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.56 -40.02 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.35 -53.96 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.546 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.52 -44.32 80.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.076 -0.511 . . . . 10.0 112.027 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -61.74 -38.56 88.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 10.0 110.357 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.76 -44.02 78.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.575 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 864' ' ' MET . 72.7 m -62.59 -39.93 95.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.423 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.05 -37.8 74.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.533 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -79.42 -17.86 53.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.997 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -102.32 21.5 14.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.139 0.495 . . . . 10.0 111.658 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 55.1 mtt -108.84 -175.53 2.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 10.0 110.195 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -125.41 149.66 65.2 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.24 97.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.937 2.425 . . . . 10.0 112.569 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 878' ' ' ASP . 0.1 OUTLIER 23.54 -77.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.864 1.666 . . . . 10.0 115.479 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 40.5 m 66.76 101.76 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.725 0.641 . . . . 10.0 111.733 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 178.73 175.67 45.97 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.543 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.15 5.46 2.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.23 2.62 . . . . 10.0 112.395 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.17 108.42 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.641 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 t -69.32 91.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.32 0.581 . . . . 10.0 110.955 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' A' ' 842' ' ' TYR . 10.8 m -79.21 123.36 84.75 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.195 -0.911 . . . . 10.0 111.593 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.71 131.0 6.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.351 2.034 . . . . 10.0 112.104 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.9 86.03 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.274 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -128.11 143.6 51.07 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.374 -0.486 . . . . 10.0 110.064 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 877' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 0.8 OUTLIER -129.36 155.62 45.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.315 -178.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 7.8 t0 -60.78 118.1 6.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.213 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 879' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 833' ' ' PHE . 1.2 p90 -86.71 -27.32 23.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.669 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.17 -35.66 73.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.132 0.491 . . . . 10.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.3 m -63.93 -36.98 85.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.426 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.11 -44.73 94.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.0 m -63.89 -33.11 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.134 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 28.4 m -70.03 -50.42 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.771 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.37 73.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.231 0.539 . . . . 10.0 110.512 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 27.9 tp -75.21 -25.6 58.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.381 -0.827 . . . . 10.0 111.064 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.23 -37.54 61.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -71.69 118.31 7.02 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.888 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.825 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1654 ' ' ILE . . . . . 0.455 HD12 HD21 ' A' ' 852' ' ' LEU . 33.5 mt -64.93 -43.43 96.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.67 -48.16 82.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.711 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.75 -35.48 80.21 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -64.06 -46.76 82.93 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.804 0.335 . . . . 10.0 110.309 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.84 -39.94 95.9 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1659 ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' 1663 ' ' LYS . 12.1 ttp180 -63.78 -55.03 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.458 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -27.69 69.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.533 0.206 . . . . 10.0 111.087 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.17 -41.88 96.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.25 0.548 . . . . 10.0 110.06 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1662 ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' 1666 ' ' GLU . 42.1 mttm -62.66 -41.92 99.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.617 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1663 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' 1659 ' ' ARG . 20.9 mtpp -65.32 -38.78 91.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.446 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.95 -43.28 91.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.612 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 45.2 tptt -64.78 -28.7 69.75 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1666 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' 1662 ' ' LYS . 41.1 mt-10 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.506 0.67 . . . . 10.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -87.02 -60.07 2.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.121 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.916 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.399 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 111.301 0.112 . . . . 10.0 111.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 2.1 49.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.707 0.765 . . . . 10.0 110.377 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.11 -166.15 1.32 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.495 -1.23 . . . . 10.0 110.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 829' ' ' VAL . 1.8 m -133.83 15.38 3.95 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.163 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.28 18.02 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.11 -1.07 . . . . 10.0 108.11 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -36.99 81.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.669 -1.151 . . . . 10.0 109.426 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -70.48 -46.81 63.03 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 825' ' ' THR . 42.6 t -60.24 -39.26 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.181 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 60.1 mmm -61.03 -49.07 78.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.642 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.89 89.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 10.0 110.169 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.7 m -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -50.94 61.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 834' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 839' ' ' ASP . 1.3 mmtp -46.86 -47.24 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.416 175.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.07 -32.15 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.687 0.279 . . . . 10.0 111.255 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.13 -47.31 85.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.091 0.472 . . . . 10.0 110.549 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -82.07 -31.46 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.312 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 102.52 65.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.954 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' LYS . 17.1 t0 54.63 38.74 30.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.724 0.773 . . . . 10.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 81.7 mttt -120.36 137.04 54.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.76 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.98 -3.33 54.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.735 0.778 . . . . 10.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 869' ' ' GLY . 0.3 OUTLIER -130.5 145.95 51.95 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 14.5 tt -132.74 152.34 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.119 0.262 . . . . 10.0 110.465 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.44 138.72 57.76 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 123.79 0.681 . . . . 10.0 109.844 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 16.8 ptp -63.4 -41.27 98.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.872 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' ASP . . . . . 0.436 ' O ' ' HD2' ' A' ' 850' ' ' ARG . 3.0 t70 -76.46 -28.5 56.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.41 -0.516 . . . . 10.0 111.032 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -47.71 75.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.017 0.437 . . . . 10.0 110.282 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -28.13 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -74.56 -17.48 60.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.597 0.713 . . . . 10.0 109.483 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 846' ' ' ASP . 0.0 OUTLIER -87.03 -26.3 23.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.844 178.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.79 -51.0 5.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.19 149.49 36.0 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.186 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -60.14 146.41 96.29 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.231 1.954 . . . . 10.0 110.888 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -40.64 -42.42 4.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.287 2.658 . . . . 10.0 113.672 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.03 -52.59 65.09 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.107 0.479 . . . . 10.0 112.124 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.2 -43.36 61.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.422 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.27 84.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 10.0 111.766 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.02 -42.05 97.23 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.09 -43.02 99.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 864' ' ' MET . 96.7 m -62.27 -46.93 86.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.456 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.42 -44.27 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.943 0.401 . . . . 10.0 110.906 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.98 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.515 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -81.33 -11.95 59.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.891 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 56.9 mtt -77.85 170.6 16.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.085 0.469 . . . . 10.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -121.77 153.37 60.05 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.16 92.06 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.881 2.387 . . . . 10.0 113.52 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 20.21 -76.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 O-C-N 125.473 1.733 . . . . 10.0 114.941 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 86.1 m 64.49 106.43 0.03 OUTLIER 'General case' 0 C--O 1.235 0.311 0 CA-C-O 122.112 0.958 . . . . 10.0 113.186 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 869' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 842' ' ' TYR . . . -179.1 -161.96 27.57 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 115.048 -0.978 . . . . 10.0 111.488 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -86.85 5.65 5.71 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.129 2.553 . . . . 10.0 111.989 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.22 117.56 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.171 0.51 . . . . 10.0 110.759 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 872' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 47.3 t -69.43 105.61 2.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.524 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.5 m -93.08 104.32 11.59 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.092 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 874' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 872' ' ' SER . 7.7 Cg_exo -69.93 139.15 38.97 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.347 2.031 . . . . 10.0 112.328 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 76.46 2.9 76.27 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -129.75 138.28 51.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 4.9 mp -127.09 161.92 27.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.757 0.313 . . . . 10.0 111.327 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 24.6 t70 -64.66 118.88 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -83.69 -28.42 28.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.577 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 65.1 ttp -56.08 -29.56 60.74 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.397 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 63.5 m -66.26 -32.58 74.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 860' ' ' CYS . 74.4 t80 -67.52 -46.77 71.88 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.986 0.422 . . . . 10.0 109.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 887' ' ' TYR . 0.1 OUTLIER -66.27 -29.11 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.807 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 79.8 m -74.32 -43.72 55.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.772 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.79 88.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.59 0.709 . . . . 10.0 110.169 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 58.9 tp -77.26 -20.5 55.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 883' ' ' SER . 10.7 t80 -74.37 -37.35 63.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.943 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -79.16 108.93 2.77 Favored Glycine 0 C--O 1.224 -0.47 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.733 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 155.46 16.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 16.9 m -100.34 14.97 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.19 0.519 . . . . 10.0 110.667 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 891' ' ' ASP . . . . . 0.492 ' HB3' ' NZ ' ' B' 1665 ' ' LYS . 26.2 t0 -157.21 43.3 0.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.757 0.789 . . . . 10.0 109.369 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.661 179.858 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.093 -0.403 . . . . 10.0 112.093 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -57.15 -39.27 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.817 0.341 . . . . 10.0 110.588 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.97 -33.15 71.7 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.243 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.82 -40.85 63.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.019 0.438 . . . . 10.0 110.047 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1650 ' ' ALA . . . . . 0.55 ' O ' HG13 ' B' 1654 ' ' ILE . . . -60.94 -45.37 94.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.639 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -37.89 87.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.496 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.92 -43.46 86.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.121 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.51 -36.31 83.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.204 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1654 ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' 1650 ' ' ALA . 27.7 mt -63.84 -47.55 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.134 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.98 -42.51 97.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.949 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.22 -40.96 97.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1657 ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' B' 1661 ' ' PHE . 36.8 t80 -61.87 -47.39 85.22 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.96 -42.87 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.769 0.795 . . . . 10.0 109.521 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -59.76 -57.21 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.548 -1.205 . . . . 10.0 111.232 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.12 -24.8 65.06 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1661 ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' B' 1657 ' ' TYR . 24.2 t80 -64.05 -40.97 97.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.761 0.315 . . . . 10.0 110.318 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1662 ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' B' 1666 ' ' GLU . 43.3 mttm -58.85 -48.61 80.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.428 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -63.92 -39.6 94.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -59.89 -41.89 92.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.219 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1665 ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' A' ' 891' ' ' ASP . 25.8 tptt -68.29 -34.66 76.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1666 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' B' 1662 ' ' LYS . 56.9 mt-10 -68.43 -23.37 64.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.22 0.533 . . . . 10.0 110.508 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.83 -57.65 2.79 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.439 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.756 -1.024 . . . . 10.0 112.07 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.32 0.105 . . . . 10.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.67 10.07 32.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.284 0.564 . . . . 10.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -100.43 -160.24 0.79 Allowed 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.873 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.88 11.85 3.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.871 0.843 . . . . 10.0 109.04 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -89.34 -48.45 7.34 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.473 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.59 69.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -68.14 -57.64 5.74 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.5 t -57.34 -38.41 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.861 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.9 mmm -61.72 -45.24 94.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.465 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.156 0.503 . . . . 10.0 110.187 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 20.1 m -62.56 -40.75 97.84 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.686 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -52.67 63.88 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.204 -1.035 . . . . 10.0 108.204 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -45.88 -48.67 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.234 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.12 -36.65 77.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.726 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.83 -39.29 73.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.976 0.417 . . . . 10.0 111.929 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.32 -8.89 59.36 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.746 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 840' ' ' LYS . . . 79.2 52.45 4.86 Favored Glycine 0 N--CA 1.462 0.418 0 C-N-CA 121.373 -0.442 . . . . 10.0 112.359 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.4 t70 67.85 -18.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.233 1.013 . . . . 10.0 112.617 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 838' ' ' GLY . 37.5 mtmt -64.62 138.77 58.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -76.3 -12.4 60.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.393 0.616 . . . . 10.0 109.999 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -117.68 134.53 54.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.848 179.126 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.03 155.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.84 137.96 55.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.155 0.502 . . . . 10.0 111.247 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 34.8 ttp -56.87 -50.02 73.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.619 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -23.7 60.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.391 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -51.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.97 0.414 . . . . 10.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.22 -26.16 67.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 29.5 ttp180 -74.53 -27.66 60.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.621 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -30.15 33.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -82.14 -70.09 0.57 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.052 -0.976 . . . . 10.0 110.23 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.98 148.74 92.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -55.07 139.62 80.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.701 2.268 . . . . 10.0 111.272 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -38.7 -50.42 2.46 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.813 3.009 . . . . 10.0 114.08 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.04 -45.47 86.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.167 0.508 . . . . 10.0 111.609 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.4 -46.0 61.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.186 -0.915 . . . . 10.0 110.302 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.53 -53.14 61.05 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.663 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -56.14 -39.96 73.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.19 0.519 . . . . 10.0 110.272 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -65.36 -44.09 88.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.416 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 864' ' ' MET . 71.7 m -65.81 -37.48 86.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.634 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 861' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 857' ' ' ALA . 93.9 mt -60.81 -40.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -74.96 -27.1 60.04 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.899 0.38 . . . . 10.0 110.971 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -92.66 16.44 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.095 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 49.3 mtt -103.73 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.818 -0.551 . . . . 10.0 110.373 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -125.63 153.11 72.85 Favored Pre-proline 0 N--CA 1.439 -0.981 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 868' ' ' THR . 19.5 Cg_endo -60.69 90.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.848 2.365 . . . . 10.0 113.258 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.95 ' HE2' ' HG ' ' A' ' 872' ' ' SER . 0.0 OUTLIER 24.61 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.068 1.747 . . . . 10.0 114.933 179.002 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 868' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 866' ' ' PRO . 83.2 m 65.6 97.54 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.814 0.816 . . . . 10.0 111.818 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.81 -169.44 33.86 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.523 -0.846 . . . . 10.0 111.923 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -85.23 7.52 5.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.789 2.326 . . . . 10.0 111.502 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -148.82 114.33 5.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.354 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 872' ' ' SER . . . . . 0.95 ' HG ' ' HE2' ' A' ' 867' ' ' TYR . 35.7 t -73.92 93.81 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.534 . . . . 10.0 109.768 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 842' ' ' TYR . 17.6 m -80.21 130.69 64.94 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.629 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.99 132.55 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.985 2.457 . . . . 10.0 112.682 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 74.55 11.96 82.6 Favored Glycine 0 CA--C 1.51 -0.235 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.983 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -130.19 138.26 50.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.8 158.82 38.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.883 0.373 . . . . 10.0 111.629 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 22.2 t70 -67.08 116.18 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.338 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -85.85 -21.37 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.739 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 34.0 ttp -57.69 -31.52 66.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.331 0.586 . . . . 10.0 111.19 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 66.9 m -64.68 -33.62 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -67.75 -46.87 70.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.943 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -32.11 73.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.209 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.9 m -71.1 -46.17 62.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.339 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.78 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.209 0.528 . . . . 10.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.874 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -63.33 -39.08 93.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.623 0.249 . . . . 10.0 110.649 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -77.17 87.32 0.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.858 -0.687 . . . . 10.0 111.954 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 163.83 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.7 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.3 m -92.01 -7.23 49.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.31 123.39 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.006 -0.997 . . . . 10.0 108.915 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.414 -0.803 . . . . 10.0 109.2 -179.012 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.373 -0.691 . . . . 10.0 111.373 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -62.17 -62.71 1.58 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.027 0.413 . . . . 10.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -63.74 -27.51 69.25 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.472 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1649 ' ' TYR . . . . . 0.603 ' O ' ' HG ' ' B' 1653 ' ' LEU . 64.6 t80 -58.92 -42.09 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -72.52 -38.28 68.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.543 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1651 ' ' THR . . . . . 0.403 ' O ' ' HG3' ' B' 1655 ' ' GLN . 39.6 m -59.47 -47.61 84.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.707 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.89 -37.01 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.376 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1653 ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' 1649 ' ' TYR . 39.4 mt -58.12 -42.05 84.94 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.513 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.04 -41.0 67.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1655 ' ' GLN . . . . . 0.569 ' O ' ' HD3' ' B' 1659 ' ' ARG . 52.0 mt-30 -64.36 -43.28 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.29 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.862 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1657 ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' B' 1661 ' ' PHE . 41.1 t80 -66.21 -33.19 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.27 -41.28 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.399 0.618 . . . . 10.0 109.61 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1659 ' ' ARG . . . . . 0.569 ' HD3' ' O ' ' B' 1655 ' ' GLN . 0.9 OUTLIER -67.52 -41.4 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.092 -0.958 . . . . 10.0 110.934 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1660 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' 1657 ' ' TYR . 0.0 OUTLIER -76.22 -26.28 55.92 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.961 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1661 ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' B' 1657 ' ' TYR . 19.1 t80 -63.22 -40.87 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.173 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 38.7 mttm -63.81 -46.54 84.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.17 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.33 -46.06 76.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.064 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 21.0 tptt -64.37 -27.6 69.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.033 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.49 -6.85 59.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.667 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -106.09 -75.26 0.63 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.981 0.42 . . . . 10.0 111.146 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.029 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.788 -0.078 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.42 -15.51 24.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.509 0.671 . . . . 10.0 110.245 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.02 -161.53 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.016 -0.993 . . . . 10.0 110.297 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.73 9.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 10.0 109.692 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.48 -53.15 12.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.859 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.13 -36.43 72.94 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.811 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.32 -42.37 75.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 10.0 110.306 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' B' 1654 ' ' ILE . 3.0 t -62.85 -42.84 97.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.314 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 42.6 mmm -58.9 -48.56 81.01 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.403 0.44 . . . . 10.0 111.172 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.91 89.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 832' ' ' SER . . . . . 0.753 ' HB3' ' HB1' ' B' 1650 ' ' ALA . 75.2 m -61.87 -41.45 97.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.809 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -55.71 26.69 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -45.16 -45.28 11.37 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.363 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.53 -44.79 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.788 0.327 . . . . 10.0 110.394 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -40.94 86.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.599 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.81 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.287 -0.869 . . . . 10.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 90.89 58.0 1.54 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.926 -0.654 . . . . 10.0 112.101 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.08 30.0 18.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.294 0.569 . . . . 10.0 111.883 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 63.8 mttt -118.19 145.0 45.28 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.256 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.05 -9.97 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 10.0 110.155 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.81 135.64 52.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.193 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 18.9 tt -115.89 154.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.668 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 844' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 847' ' ' GLU . 0.1 OUTLIER -70.12 137.93 51.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.271 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.9 ptp -60.12 -40.13 88.65 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.423 0.452 . . . . 10.0 111.638 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.49 -35.3 63.22 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 844' ' ' THR . 0.5 OUTLIER -59.92 -52.07 66.97 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.317 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.58 70.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.802 0.334 . . . . 10.0 110.302 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 849' ' ' ARG . . . . . 0.478 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 37.8 ttp180 -71.97 -25.15 61.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.796 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -21.88 30.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.608 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.68 -68.29 0.75 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.585 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 31.7 mt -79.32 148.14 70.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.66 143.53 68.74 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.612 2.208 . . . . 10.0 111.399 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -38.56 -46.77 2.53 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 124.377 3.385 . . . . 10.0 113.906 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.28 -48.54 80.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.97 0.414 . . . . 10.0 111.85 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -72.49 -40.33 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.371 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -57.39 -51.91 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.459 0.475 . . . . 10.0 111.223 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.49 -40.51 78.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.646 0.26 . . . . 10.0 110.858 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -65.31 -44.08 88.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.36 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 864' ' ' MET . 79.7 m -63.12 -44.17 96.35 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.551 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.41 -45.92 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.87 62.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.258 -0.428 . . . . 10.0 112.046 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -93.24 -6.2 48.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 59.6 mtt -84.91 165.38 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -118.65 151.74 50.33 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.58 103.14 0.09 OUTLIER 'Trans proline' 0 C--O 1.22 -0.415 0 C-N-CA 122.951 2.434 . . . . 10.0 113.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 13.98 -70.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.614 1.966 . . . . 10.0 115.929 178.726 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 25.7 m 67.79 94.45 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.79 0.723 . . . . 10.0 111.252 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.68 178.64 48.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.111 -1.042 . . . . 10.0 113.546 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.43 5.4 3.73 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.415 2.744 . . . . 10.0 113.114 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -146.77 108.02 4.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.972 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 872' ' ' SER . . . . . 0.414 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 36.7 t -71.11 101.5 2.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.072 -0.967 . . . . 10.0 110.132 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -87.56 124.84 67.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.936 -1.029 . . . . 10.0 111.286 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.19 131.03 4.12 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.943 2.429 . . . . 10.0 112.367 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 78.94 3.93 88.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.112 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -121.72 145.42 48.05 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 877' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 1.0 OUTLIER -131.66 155.13 48.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.751 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 29.3 t70 -63.41 111.59 2.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.766 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.23 -28.43 53.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.715 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 51.0 ttp -56.28 -31.96 64.11 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.333 0.587 . . . . 10.0 110.581 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 43.2 m -64.27 -31.24 72.36 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.444 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.82 -51.06 36.84 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.841 0.353 . . . . 10.0 110.56 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.2 m -64.17 -37.52 87.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 99.4 m -66.2 -41.69 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.41 0.624 . . . . 10.0 109.935 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.25 65.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.139 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 tp -81.23 -26.62 35.73 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.577 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -64.09 -35.64 81.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.335 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -82.41 95.93 1.81 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.573 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -85.75 161.88 18.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.647 0.26 . . . . 10.0 110.468 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 48.0 m -76.48 -41.99 45.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.959 0.409 . . . . 10.0 110.677 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -127.98 91.28 3.24 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.278 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.251 1.16 0 CA-C-N 115.21 -0.904 . . . . 10.0 110.176 179.323 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 CA-C-O 120.37 -0.128 . . . . 10.0 112.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -73.27 -65.23 0.84 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -55.34 -34.97 64.69 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.729 1.011 . . . . 10.0 113.729 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 10.0 111.774 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1650 ' ' ALA . . . . . 0.753 ' HB1' ' HB3' ' A' ' 832' ' ' SER . . . -69.4 -42.16 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 1.4 p -71.78 -29.99 65.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 51.0 t80 -65.66 -37.51 86.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.977 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.32 -32.9 69.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.859 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1654 ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' 1650 ' ' ALA . 57.1 mt -66.21 -45.07 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.27 0.557 . . . . 10.0 109.851 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -67.35 -33.91 76.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.627 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.85 -33.5 73.92 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 30.1 t80 -66.71 -40.59 88.51 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.424 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -65.5 -38.41 89.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.951 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -68.88 -43.94 74.3 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.615 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1660 ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' 1664 ' ' ARG . 0.1 OUTLIER -78.49 -12.71 60.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.797 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 87.4 t80 -80.02 -44.54 19.98 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.11 -44.84 83.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.609 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 61.3 mttp -67.37 -29.42 68.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.482 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1664 ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' B' 1660 ' ' LYS . 7.6 tmm_? -72.08 -26.33 62.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.251 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.03 -28.1 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.611 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.68 -22.58 58.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.221 0.534 . . . . 10.0 110.23 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -88.92 -48.88 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.79 0 CA-C-O 119.046 -0.864 . . . . 10.0 111.183 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.739 0.304 . . . . 10.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -7.78 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.496 0.665 . . . . 10.0 109.925 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.96 -167.26 1.67 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.022 -0.99 . . . . 10.0 111.427 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 829' ' ' VAL . 0.9 OUTLIER -136.6 9.14 3.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.161 0.982 . . . . 10.0 109.546 179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' B' 1657 ' ' TYR . . . -82.99 -46.61 12.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.596 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.0 -41.24 74.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.761 0.791 . . . . 10.0 109.151 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -64.27 -44.63 91.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.375 -1.284 . . . . 10.0 110.926 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 825' ' ' THR . 17.0 t -61.81 -40.47 87.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 38.0 mmm -62.05 -46.17 90.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.466 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.72 94.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.046 0.451 . . . . 10.0 109.873 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.9 m -64.81 -40.85 95.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.714 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -62.42 -51.74 66.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.36 -49.73 33.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.154 -0.93 . . . . 10.0 110.151 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.43 -45.17 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 O-C-N 123.253 0.345 . . . . 10.0 110.742 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.635 HD21 ' HG3' ' A' ' 851' ' ' GLU . 7.7 tp -50.58 -48.32 57.7 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.115 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -80.08 -35.49 36.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.521 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 109.87 62.47 0.52 Allowed Glycine 0 C--O 1.236 0.231 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.921 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.2 t70 53.7 39.89 30.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.494 0.664 . . . . 10.0 110.211 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 68.8 mttt -115.23 134.86 54.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' ASN . . . . . 0.454 ' O ' ' HD2' ' A' ' 879' ' ' TYR . 10.1 t30 -78.88 -22.12 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.824 0.821 . . . . 10.0 109.358 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.444 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -115.43 121.82 43.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.444 -1.253 . . . . 10.0 109.855 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 20.2 tt -103.45 150.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.996 0.427 . . . . 10.0 110.964 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.88 138.13 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.753 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 846' ' ' ASP . 7.4 ptp -62.02 -45.11 95.04 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.88 0.738 . . . . 10.0 111.772 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 846' ' ' ASP . . . . . 0.581 ' N ' ' HG3' ' A' ' 845' ' ' MET . 0.9 OUTLIER -69.27 -33.99 74.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 -179.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.63 -50.17 72.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.609 0.242 . . . . 10.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -28.29 68.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.215 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 849' ' ' ARG . . . . . 0.546 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 26.3 ttp180 -74.81 -25.74 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.118 0.485 . . . . 10.0 110.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -28.61 50.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.523 0.678 . . . . 10.0 109.657 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.635 ' HG3' HD21 ' A' ' 836' ' ' LEU . 63.0 mm-40 -82.48 -68.59 0.69 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.574 -1.194 . . . . 10.0 111.303 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.455 HD21 HD12 ' B' 1654 ' ' ILE . 14.6 mt -78.07 153.92 80.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.353 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.57 153.2 43.41 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.909 1.739 . . . . 10.0 110.818 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.87 -57.33 2.24 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.766 2.311 . . . . 10.0 113.547 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.56 -40.02 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.35 -53.96 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.546 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.52 -44.32 80.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.076 -0.511 . . . . 10.0 112.027 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -61.74 -38.56 88.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 10.0 110.357 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.76 -44.02 78.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.575 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 864' ' ' MET . 72.7 m -62.59 -39.93 95.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.423 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.05 -37.8 74.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.533 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -79.42 -17.86 53.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.997 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -102.32 21.5 14.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.139 0.495 . . . . 10.0 111.658 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 55.1 mtt -108.84 -175.53 2.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 10.0 110.195 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -125.41 149.66 65.2 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.24 97.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.937 2.425 . . . . 10.0 112.569 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 878' ' ' ASP . 0.1 OUTLIER 23.54 -77.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.864 1.666 . . . . 10.0 115.479 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 40.5 m 66.76 101.76 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.725 0.641 . . . . 10.0 111.733 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 178.73 175.67 45.97 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.543 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.15 5.46 2.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.23 2.62 . . . . 10.0 112.395 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.17 108.42 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.641 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 t -69.32 91.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.32 0.581 . . . . 10.0 110.955 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' A' ' 842' ' ' TYR . 10.8 m -79.21 123.36 84.75 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.195 -0.911 . . . . 10.0 111.593 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.71 131.0 6.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.351 2.034 . . . . 10.0 112.104 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.9 86.03 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.274 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -128.11 143.6 51.07 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.374 -0.486 . . . . 10.0 110.064 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 877' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 0.8 OUTLIER -129.36 155.62 45.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.315 -178.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 7.8 t0 -60.78 118.1 6.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.213 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 879' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 833' ' ' PHE . 1.2 p90 -86.71 -27.32 23.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.669 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.17 -35.66 73.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.132 0.491 . . . . 10.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.3 m -63.93 -36.98 85.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.426 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.11 -44.73 94.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.0 m -63.89 -33.11 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.134 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 28.4 m -70.03 -50.42 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.771 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.37 73.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.231 0.539 . . . . 10.0 110.512 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 27.9 tp -75.21 -25.6 58.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.381 -0.827 . . . . 10.0 111.064 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.23 -37.54 61.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -71.69 118.31 7.02 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.888 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.73 152.01 21.72 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 8.0 m -83.89 -26.87 29.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 10.0 109.958 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -139.89 87.85 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.429 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 64.5 tp . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.449 -179.64 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.191 -0.364 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -82.31 -55.75 4.32 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 110.693 -0.114 . . . . 10.0 110.693 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -63.7 -34.04 76.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.381 0.426 . . . . 10.0 110.195 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1649 ' ' TYR . . . . . 0.421 ' O ' ' HG ' ' B' 1653 ' ' LEU . 12.1 t80 -59.97 -42.61 94.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.31 0.576 . . . . 10.0 109.686 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1650 ' ' ALA . . . . . 0.501 ' O ' HG13 ' B' 1654 ' ' ILE . . . -65.0 -44.36 89.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.128 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -42.68 90.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.814 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.16 -34.93 79.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.506 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1653 ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' 1649 ' ' TYR . 95.3 mt -65.17 -42.01 94.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1654 ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' 1650 ' ' ALA . 33.5 mt -64.93 -43.43 96.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.67 -48.16 82.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.711 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.75 -35.48 80.21 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1657 ' ' TYR . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 826' ' ' ALA . 63.9 t80 -64.06 -46.76 82.93 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.804 0.335 . . . . 10.0 110.309 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.84 -39.94 95.9 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1659 ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' 1663 ' ' LYS . 12.1 ttp180 -63.78 -55.03 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.458 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -27.69 69.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.533 0.206 . . . . 10.0 111.087 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.17 -41.88 96.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.25 0.548 . . . . 10.0 110.06 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1662 ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' 1666 ' ' GLU . 42.1 mttm -62.66 -41.92 99.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.617 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1663 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' 1659 ' ' ARG . 20.9 mtpp -65.32 -38.78 91.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.446 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.95 -43.28 91.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.612 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 45.2 tptt -64.78 -28.7 69.75 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1666 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' 1662 ' ' LYS . 41.1 mt-10 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.506 0.67 . . . . 10.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -87.02 -60.07 2.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.121 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.916 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.399 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.436 HG13 HG12 ' B' 1654 ' ' ILE . 42.6 t . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.765 0.317 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 60.1 mmm -61.03 -49.07 78.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.642 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.89 89.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 10.0 110.169 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.7 m -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -50.94 61.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 839' ' ' ASP . 1.3 mmtp -46.86 -47.24 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.416 175.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.07 -32.15 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.687 0.279 . . . . 10.0 111.255 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.13 -47.31 85.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.091 0.472 . . . . 10.0 110.549 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -82.07 -31.46 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.312 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 102.52 65.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.954 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' LYS . 17.1 t0 54.63 38.74 30.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.724 0.773 . . . . 10.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 81.7 mttt -120.36 137.04 54.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.76 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.98 -3.33 54.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.735 0.778 . . . . 10.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 869' ' ' GLY . 0.3 OUTLIER -130.5 145.95 51.95 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 14.5 tt -132.74 152.34 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.119 0.262 . . . . 10.0 110.465 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.44 138.72 57.76 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 123.79 0.681 . . . . 10.0 109.844 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 16.8 ptp -63.4 -41.27 98.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.872 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . 0.436 ' O ' ' HD2' ' A' ' 850' ' ' ARG . 3.0 t70 -76.46 -28.5 56.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.41 -0.516 . . . . 10.0 111.032 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -47.71 75.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.017 0.437 . . . . 10.0 110.282 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -28.13 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -74.56 -17.48 60.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.597 0.713 . . . . 10.0 109.483 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 846' ' ' ASP . 0.0 OUTLIER -87.03 -26.3 23.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.844 178.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.79 -51.0 5.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.19 149.49 36.0 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.186 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -60.14 146.41 96.29 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.231 1.954 . . . . 10.0 110.888 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -40.64 -42.42 4.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.287 2.658 . . . . 10.0 113.672 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.03 -52.59 65.09 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.107 0.479 . . . . 10.0 112.124 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.2 -43.36 61.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.422 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.27 84.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 10.0 111.766 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.02 -42.05 97.23 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.09 -43.02 99.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 864' ' ' MET . 96.7 m -62.27 -46.93 86.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.456 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.42 -44.27 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.943 0.401 . . . . 10.0 110.906 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.98 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.515 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -81.33 -11.95 59.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.891 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 56.9 mtt -77.85 170.6 16.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.085 0.469 . . . . 10.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -121.77 153.37 60.05 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.16 92.06 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.881 2.387 . . . . 10.0 113.52 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 20.21 -76.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 O-C-N 125.473 1.733 . . . . 10.0 114.941 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 86.1 m 64.49 106.43 0.03 OUTLIER 'General case' 0 C--O 1.235 0.311 0 CA-C-O 122.112 0.958 . . . . 10.0 113.186 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 842' ' ' TYR . . . -179.1 -161.96 27.57 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 115.048 -0.978 . . . . 10.0 111.488 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -86.85 5.65 5.71 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.129 2.553 . . . . 10.0 111.989 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.22 117.56 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.171 0.51 . . . . 10.0 110.759 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 47.3 t -69.43 105.61 2.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.524 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.5 m -93.08 104.32 11.59 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.092 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 872' ' ' SER . 7.7 Cg_exo -69.93 139.15 38.97 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.347 2.031 . . . . 10.0 112.328 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 76.46 2.9 76.27 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -129.75 138.28 51.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 4.9 mp -127.09 161.92 27.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.757 0.313 . . . . 10.0 111.327 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 24.6 t70 -64.66 118.88 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -83.69 -28.42 28.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.577 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 65.1 ttp -56.08 -29.56 60.74 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.397 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 63.5 m -66.26 -32.58 74.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 860' ' ' CYS . 74.4 t80 -67.52 -46.77 71.88 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.986 0.422 . . . . 10.0 109.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 887' ' ' TYR . 0.1 OUTLIER -66.27 -29.11 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.807 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 79.8 m -74.32 -43.72 55.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.772 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.79 88.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.59 0.709 . . . . 10.0 110.169 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 58.9 tp -77.26 -20.5 55.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 887' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 883' ' ' SER . 10.7 t80 -74.37 -37.35 63.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.943 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -79.16 108.93 2.77 Favored Glycine 0 C--O 1.224 -0.47 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.733 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.735 0.302 . . . . 10.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . 0.436 HG12 HG13 ' A' ' 829' ' ' VAL . 27.7 mt -63.84 -47.55 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.134 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.98 -42.51 97.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.949 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.22 -40.96 97.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' B' 1661 ' ' PHE . 36.8 t80 -61.87 -47.39 85.22 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.96 -42.87 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.769 0.795 . . . . 10.0 109.521 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -59.76 -57.21 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.548 -1.205 . . . . 10.0 111.232 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.12 -24.8 65.06 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' B' 1657 ' ' TYR . 24.2 t80 -64.05 -40.97 97.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.761 0.315 . . . . 10.0 110.318 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' B' 1666 ' ' GLU . 43.3 mttm -58.85 -48.61 80.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.428 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -63.92 -39.6 94.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -59.89 -41.89 92.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.219 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 25.8 tptt -68.29 -34.66 76.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' B' 1662 ' ' LYS . 56.9 mt-10 -68.43 -23.37 64.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.22 0.533 . . . . 10.0 110.508 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.83 -57.65 2.79 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.439 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.756 -1.024 . . . . 10.0 112.07 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.226 -0.143 0 CA-C-O 120.838 0.352 . . . . 10.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.9 mmm -61.72 -45.24 94.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.465 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.156 0.503 . . . . 10.0 110.187 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 20.1 m -62.56 -40.75 97.84 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.686 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -52.67 63.88 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.204 -1.035 . . . . 10.0 108.204 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -45.88 -48.67 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.234 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.12 -36.65 77.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.726 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.83 -39.29 73.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.976 0.417 . . . . 10.0 111.929 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.32 -8.89 59.36 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.746 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 840' ' ' LYS . . . 79.2 52.45 4.86 Favored Glycine 0 N--CA 1.462 0.418 0 C-N-CA 121.373 -0.442 . . . . 10.0 112.359 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.4 t70 67.85 -18.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.233 1.013 . . . . 10.0 112.617 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 838' ' ' GLY . 37.5 mtmt -64.62 138.77 58.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -76.3 -12.4 60.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.393 0.616 . . . . 10.0 109.999 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -117.68 134.53 54.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.848 179.126 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.03 155.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.84 137.96 55.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.155 0.502 . . . . 10.0 111.247 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 34.8 ttp -56.87 -50.02 73.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.619 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -23.7 60.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.391 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -51.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.97 0.414 . . . . 10.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.22 -26.16 67.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 29.5 ttp180 -74.53 -27.66 60.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.621 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -30.15 33.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -82.14 -70.09 0.57 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.052 -0.976 . . . . 10.0 110.23 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.98 148.74 92.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -55.07 139.62 80.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.701 2.268 . . . . 10.0 111.272 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -38.7 -50.42 2.46 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.813 3.009 . . . . 10.0 114.08 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.04 -45.47 86.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.167 0.508 . . . . 10.0 111.609 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.4 -46.0 61.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.186 -0.915 . . . . 10.0 110.302 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.53 -53.14 61.05 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.663 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -56.14 -39.96 73.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.19 0.519 . . . . 10.0 110.272 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -65.36 -44.09 88.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.416 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 864' ' ' MET . 71.7 m -65.81 -37.48 86.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.634 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 857' ' ' ALA . 93.9 mt -60.81 -40.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -74.96 -27.1 60.04 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.899 0.38 . . . . 10.0 110.971 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -92.66 16.44 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.095 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 49.3 mtt -103.73 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.818 -0.551 . . . . 10.0 110.373 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -125.63 153.11 72.85 Favored Pre-proline 0 N--CA 1.439 -0.981 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 868' ' ' THR . 19.5 Cg_endo -60.69 90.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.848 2.365 . . . . 10.0 113.258 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.95 ' HE2' ' HG ' ' A' ' 872' ' ' SER . 0.0 OUTLIER 24.61 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.068 1.747 . . . . 10.0 114.933 179.002 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 866' ' ' PRO . 83.2 m 65.6 97.54 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.814 0.816 . . . . 10.0 111.818 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.81 -169.44 33.86 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.523 -0.846 . . . . 10.0 111.923 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -85.23 7.52 5.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.789 2.326 . . . . 10.0 111.502 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -148.82 114.33 5.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.354 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . 0.95 ' HG ' ' HE2' ' A' ' 867' ' ' TYR . 35.7 t -73.92 93.81 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.534 . . . . 10.0 109.768 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 842' ' ' TYR . 17.6 m -80.21 130.69 64.94 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.629 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.99 132.55 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.985 2.457 . . . . 10.0 112.682 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 74.55 11.96 82.6 Favored Glycine 0 CA--C 1.51 -0.235 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.983 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -130.19 138.26 50.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.8 158.82 38.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.883 0.373 . . . . 10.0 111.629 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 22.2 t70 -67.08 116.18 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.338 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -85.85 -21.37 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.739 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 34.0 ttp -57.69 -31.52 66.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.331 0.586 . . . . 10.0 111.19 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 66.9 m -64.68 -33.62 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -67.75 -46.87 70.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.943 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -32.11 73.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.209 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.9 m -71.1 -46.17 62.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.339 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.78 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.209 0.528 . . . . 10.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.874 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -63.33 -39.08 93.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.623 0.249 . . . . 10.0 110.649 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -77.17 87.32 0.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.858 -0.687 . . . . 10.0 111.954 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.914 0.387 . . . . 10.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.04 -41.0 67.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . 0.569 ' O ' ' HD3' ' B' 1659 ' ' ARG . 52.0 mt-30 -64.36 -43.28 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.29 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.862 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' B' 1661 ' ' PHE . 41.1 t80 -66.21 -33.19 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.27 -41.28 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.399 0.618 . . . . 10.0 109.61 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . 0.569 ' HD3' ' O ' ' B' 1655 ' ' GLN . 0.9 OUTLIER -67.52 -41.4 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.092 -0.958 . . . . 10.0 110.934 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' 1657 ' ' TYR . 0.0 OUTLIER -76.22 -26.28 55.92 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.961 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' B' 1657 ' ' TYR . 19.1 t80 -63.22 -40.87 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.173 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 38.7 mttm -63.81 -46.54 84.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.17 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.33 -46.06 76.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.064 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 21.0 tptt -64.37 -27.6 69.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.033 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.49 -6.85 59.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.667 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -106.09 -75.26 0.63 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.981 0.42 . . . . 10.0 111.146 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.029 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' B' 1654 ' ' ILE . 3.0 t . . . . . 0 C--O 1.225 -0.232 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 42.6 mmm -58.9 -48.56 81.01 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.403 0.44 . . . . 10.0 111.172 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.91 89.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 75.2 m -61.87 -41.45 97.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.809 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -55.71 26.69 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -45.16 -45.28 11.37 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.363 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.53 -44.79 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.788 0.327 . . . . 10.0 110.394 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -40.94 86.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.599 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.81 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.287 -0.869 . . . . 10.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 90.89 58.0 1.54 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.926 -0.654 . . . . 10.0 112.101 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.08 30.0 18.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.294 0.569 . . . . 10.0 111.883 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 63.8 mttt -118.19 145.0 45.28 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.256 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.05 -9.97 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 10.0 110.155 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.81 135.64 52.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.193 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 18.9 tt -115.89 154.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.668 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 847' ' ' GLU . 0.1 OUTLIER -70.12 137.93 51.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.271 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.9 ptp -60.12 -40.13 88.65 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.423 0.452 . . . . 10.0 111.638 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.49 -35.3 63.22 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 844' ' ' THR . 0.5 OUTLIER -59.92 -52.07 66.97 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.317 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.58 70.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.802 0.334 . . . . 10.0 110.302 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . 0.478 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 37.8 ttp180 -71.97 -25.15 61.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.796 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -21.88 30.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.608 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.68 -68.29 0.75 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.585 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 31.7 mt -79.32 148.14 70.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.66 143.53 68.74 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.612 2.208 . . . . 10.0 111.399 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -38.56 -46.77 2.53 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 124.377 3.385 . . . . 10.0 113.906 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.28 -48.54 80.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.97 0.414 . . . . 10.0 111.85 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -72.49 -40.33 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.371 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -57.39 -51.91 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.459 0.475 . . . . 10.0 111.223 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.49 -40.51 78.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.646 0.26 . . . . 10.0 110.858 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -65.31 -44.08 88.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.36 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 864' ' ' MET . 79.7 m -63.12 -44.17 96.35 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.551 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.41 -45.92 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.87 62.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.258 -0.428 . . . . 10.0 112.046 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -93.24 -6.2 48.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 59.6 mtt -84.91 165.38 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -118.65 151.74 50.33 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.58 103.14 0.09 OUTLIER 'Trans proline' 0 C--O 1.22 -0.415 0 C-N-CA 122.951 2.434 . . . . 10.0 113.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 13.98 -70.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.614 1.966 . . . . 10.0 115.929 178.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 25.7 m 67.79 94.45 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.79 0.723 . . . . 10.0 111.252 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.68 178.64 48.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.111 -1.042 . . . . 10.0 113.546 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.43 5.4 3.73 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.415 2.744 . . . . 10.0 113.114 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -146.77 108.02 4.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.972 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . 0.414 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 36.7 t -71.11 101.5 2.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.072 -0.967 . . . . 10.0 110.132 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -87.56 124.84 67.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.936 -1.029 . . . . 10.0 111.286 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.19 131.03 4.12 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.943 2.429 . . . . 10.0 112.367 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 78.94 3.93 88.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.112 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -121.72 145.42 48.05 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 1.0 OUTLIER -131.66 155.13 48.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.751 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 29.3 t70 -63.41 111.59 2.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.766 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.23 -28.43 53.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.715 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 51.0 ttp -56.28 -31.96 64.11 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.333 0.587 . . . . 10.0 110.581 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 43.2 m -64.27 -31.24 72.36 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.444 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.82 -51.06 36.84 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.841 0.353 . . . . 10.0 110.56 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.2 m -64.17 -37.52 87.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 99.4 m -66.2 -41.69 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.41 0.624 . . . . 10.0 109.935 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.25 65.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.139 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 tp -81.23 -26.62 35.73 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.577 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -64.09 -35.64 81.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.335 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -82.41 95.93 1.81 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.573 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.647 0.26 . . . . 10.0 110.468 179.592 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.595 0.236 . . . . 10.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . 0.574 ' HA ' HG22 ' A' ' 829' ' ' VAL . 57.1 mt -66.21 -45.07 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.27 0.557 . . . . 10.0 109.851 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -67.35 -33.91 76.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.627 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.85 -33.5 73.92 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 30.1 t80 -66.71 -40.59 88.51 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.424 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -65.5 -38.41 89.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.951 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -68.88 -43.94 74.3 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.615 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' 1664 ' ' ARG . 0.1 OUTLIER -78.49 -12.71 60.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.797 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 87.4 t80 -80.02 -44.54 19.98 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.11 -44.84 83.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.609 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 61.3 mttp -67.37 -29.42 68.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.482 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' B' 1660 ' ' LYS . 7.6 tmm_? -72.08 -26.33 62.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.251 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.03 -28.1 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.611 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.68 -22.58 58.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.221 0.534 . . . . 10.0 110.23 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -88.92 -48.88 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.79 0 CA-C-O 119.046 -0.864 . . . . 10.0 111.183 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 38.0 mmm -62.05 -46.17 90.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.466 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.72 94.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.046 0.451 . . . . 10.0 109.873 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.9 m -64.81 -40.85 95.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.714 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -62.42 -51.74 66.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.36 -49.73 33.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.154 -0.93 . . . . 10.0 110.151 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.43 -45.17 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 O-C-N 123.253 0.345 . . . . 10.0 110.742 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.635 HD21 ' HG3' ' A' ' 851' ' ' GLU . 7.7 tp -50.58 -48.32 57.7 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.115 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -80.08 -35.49 36.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.521 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 109.87 62.47 0.52 Allowed Glycine 0 C--O 1.236 0.231 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.921 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.2 t70 53.7 39.89 30.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.494 0.664 . . . . 10.0 110.211 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 68.8 mttt -115.23 134.86 54.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . 0.454 ' O ' ' HD2' ' A' ' 879' ' ' TYR . 10.1 t30 -78.88 -22.12 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.824 0.821 . . . . 10.0 109.358 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.444 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -115.43 121.82 43.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.444 -1.253 . . . . 10.0 109.855 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 20.2 tt -103.45 150.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.996 0.427 . . . . 10.0 110.964 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.88 138.13 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.753 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 846' ' ' ASP . 7.4 ptp -62.02 -45.11 95.04 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.88 0.738 . . . . 10.0 111.772 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . 0.581 ' N ' ' HG3' ' A' ' 845' ' ' MET . 0.9 OUTLIER -69.27 -33.99 74.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 -179.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.63 -50.17 72.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.609 0.242 . . . . 10.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -28.29 68.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.215 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . 0.546 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 26.3 ttp180 -74.81 -25.74 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.118 0.485 . . . . 10.0 110.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -28.61 50.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.523 0.678 . . . . 10.0 109.657 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.635 ' HG3' HD21 ' A' ' 836' ' ' LEU . 63.0 mm-40 -82.48 -68.59 0.69 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.574 -1.194 . . . . 10.0 111.303 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.455 HD21 HD12 ' B' 1654 ' ' ILE . 14.6 mt -78.07 153.92 80.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.353 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.57 153.2 43.41 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.909 1.739 . . . . 10.0 110.818 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.87 -57.33 2.24 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.766 2.311 . . . . 10.0 113.547 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.56 -40.02 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.35 -53.96 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.546 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.52 -44.32 80.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.076 -0.511 . . . . 10.0 112.027 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -61.74 -38.56 88.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 10.0 110.357 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.76 -44.02 78.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.575 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 864' ' ' MET . 72.7 m -62.59 -39.93 95.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.423 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.05 -37.8 74.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.533 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -79.42 -17.86 53.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.997 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -102.32 21.5 14.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.139 0.495 . . . . 10.0 111.658 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 55.1 mtt -108.84 -175.53 2.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 10.0 110.195 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -125.41 149.66 65.2 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.24 97.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.937 2.425 . . . . 10.0 112.569 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 878' ' ' ASP . 0.1 OUTLIER 23.54 -77.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.864 1.666 . . . . 10.0 115.479 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 40.5 m 66.76 101.76 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.725 0.641 . . . . 10.0 111.733 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 178.73 175.67 45.97 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.543 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.15 5.46 2.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.23 2.62 . . . . 10.0 112.395 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.17 108.42 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.641 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 t -69.32 91.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.32 0.581 . . . . 10.0 110.955 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' A' ' 842' ' ' TYR . 10.8 m -79.21 123.36 84.75 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.195 -0.911 . . . . 10.0 111.593 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.71 131.0 6.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.351 2.034 . . . . 10.0 112.104 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.9 86.03 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.274 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -128.11 143.6 51.07 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.374 -0.486 . . . . 10.0 110.064 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 0.8 OUTLIER -129.36 155.62 45.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.315 -178.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 7.8 t0 -60.78 118.1 6.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.213 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 833' ' ' PHE . 1.2 p90 -86.71 -27.32 23.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.669 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.17 -35.66 73.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.132 0.491 . . . . 10.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.3 m -63.93 -36.98 85.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.426 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.11 -44.73 94.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.0 m -63.89 -33.11 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.134 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 28.4 m -70.03 -50.42 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.771 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.37 73.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.231 0.539 . . . . 10.0 110.512 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 27.9 tp -75.21 -25.6 58.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.381 -0.827 . . . . 10.0 111.064 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.23 -37.54 61.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -71.69 118.31 7.02 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.888 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.825 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1654 ' ' ILE . . . . . 0.455 HD12 HD21 ' A' ' 852' ' ' LEU . 33.5 mt -64.93 -43.43 96.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.67 -48.16 82.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.711 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.75 -35.48 80.21 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 63.9 t80 -64.06 -46.76 82.93 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.804 0.335 . . . . 10.0 110.309 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.84 -39.94 95.9 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1659 ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' 1663 ' ' LYS . 12.1 ttp180 -63.78 -55.03 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.458 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -27.69 69.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.533 0.206 . . . . 10.0 111.087 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.17 -41.88 96.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.25 0.548 . . . . 10.0 110.06 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1662 ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' 1666 ' ' GLU . 42.1 mttm -62.66 -41.92 99.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.617 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1663 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' 1659 ' ' ARG . 20.9 mtpp -65.32 -38.78 91.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.446 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.95 -43.28 91.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.612 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 45.2 tptt -64.78 -28.7 69.75 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1666 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' 1662 ' ' LYS . 41.1 mt-10 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.506 0.67 . . . . 10.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -87.02 -60.07 2.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.121 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.916 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.399 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 111.301 0.112 . . . . 10.0 111.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 2.1 49.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.707 0.765 . . . . 10.0 110.377 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.11 -166.15 1.32 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.495 -1.23 . . . . 10.0 110.039 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 829' ' ' VAL . 1.8 m -133.83 15.38 3.95 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.163 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.28 18.02 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.11 -1.07 . . . . 10.0 108.11 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -36.99 81.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.669 -1.151 . . . . 10.0 109.426 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -70.48 -46.81 63.03 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.267 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 825' ' ' THR . 42.6 t -60.24 -39.26 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.181 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 60.1 mmm -61.03 -49.07 78.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.642 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.89 89.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 10.0 110.169 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.7 m -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.697 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -50.94 61.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.514 -0.921 . . . . 10.0 108.514 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 839' ' ' ASP . 1.3 mmtp -46.86 -47.24 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.416 175.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.07 -32.15 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.687 0.279 . . . . 10.0 111.255 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.13 -47.31 85.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.091 0.472 . . . . 10.0 110.549 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -82.07 -31.46 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.312 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 102.52 65.54 0.74 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.954 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 834' ' ' LYS . 17.1 t0 54.63 38.74 30.47 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.724 0.773 . . . . 10.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 81.7 mttt -120.36 137.04 54.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.76 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.98 -3.33 54.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.735 0.778 . . . . 10.0 110.042 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 869' ' ' GLY . 0.3 OUTLIER -130.5 145.95 51.95 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.311 -0.996 . . . . 10.0 108.311 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 14.5 tt -132.74 152.34 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 123.119 0.262 . . . . 10.0 110.465 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.44 138.72 57.76 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 123.79 0.681 . . . . 10.0 109.844 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 16.8 ptp -63.4 -41.27 98.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.328 -0.851 . . . . 10.0 110.872 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . 0.436 ' O ' ' HD2' ' A' ' 850' ' ' ARG . 3.0 t70 -76.46 -28.5 56.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.41 -0.516 . . . . 10.0 111.032 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -47.71 75.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.017 0.437 . . . . 10.0 110.282 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -28.13 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -74.56 -17.48 60.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.597 0.713 . . . . 10.0 109.483 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 846' ' ' ASP . 0.0 OUTLIER -87.03 -26.3 23.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.844 178.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.79 -51.0 5.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 87.7 mt -96.19 149.49 36.0 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.186 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -60.14 146.41 96.29 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.231 1.954 . . . . 10.0 110.888 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -40.64 -42.42 4.08 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.287 2.658 . . . . 10.0 113.672 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.03 -52.59 65.09 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.107 0.479 . . . . 10.0 112.124 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.2 -43.36 61.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.694 -0.685 . . . . 10.0 109.422 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.78 -46.27 84.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 10.0 111.766 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.02 -42.05 97.23 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.09 -43.02 99.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 109.799 -0.445 . . . . 10.0 109.799 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 864' ' ' MET . 96.7 m -62.27 -46.93 86.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.456 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.42 -44.27 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.943 0.401 . . . . 10.0 110.906 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -72.63 -31.98 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.515 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -81.33 -11.95 59.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.891 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.587 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 56.9 mtt -77.85 170.6 16.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.085 0.469 . . . . 10.0 110.57 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -121.77 153.37 60.05 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 10.0 109.763 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.16 92.06 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.881 2.387 . . . . 10.0 113.52 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 20.21 -76.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 O-C-N 125.473 1.733 . . . . 10.0 114.941 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 86.1 m 64.49 106.43 0.03 OUTLIER 'General case' 0 C--O 1.235 0.311 0 CA-C-O 122.112 0.958 . . . . 10.0 113.186 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 842' ' ' TYR . . . -179.1 -161.96 27.57 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 115.048 -0.978 . . . . 10.0 111.488 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -86.85 5.65 5.71 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 123.129 2.553 . . . . 10.0 111.989 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.22 117.56 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.171 0.51 . . . . 10.0 110.759 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 47.3 t -69.43 105.61 2.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.524 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.5 m -93.08 104.32 11.59 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.092 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 872' ' ' SER . 7.7 Cg_exo -69.93 139.15 38.97 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.347 2.031 . . . . 10.0 112.328 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 76.46 2.9 76.27 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -129.75 138.28 51.01 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 4.9 mp -127.09 161.92 27.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.757 0.313 . . . . 10.0 111.327 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 24.6 t70 -64.66 118.88 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.444 -0.798 . . . . 10.0 111.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -83.69 -28.42 28.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.577 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 65.1 ttp -56.08 -29.56 60.74 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.397 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 63.5 m -66.26 -32.58 74.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 860' ' ' CYS . 74.4 t80 -67.52 -46.77 71.88 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.986 0.422 . . . . 10.0 109.961 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 887' ' ' TYR . 0.1 OUTLIER -66.27 -29.11 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.807 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 79.8 m -74.32 -43.72 55.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.772 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.79 88.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.59 0.709 . . . . 10.0 110.169 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 58.9 tp -77.26 -20.5 55.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 883' ' ' SER . 10.7 t80 -74.37 -37.35 63.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.943 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -79.16 108.93 2.77 Favored Glycine 0 C--O 1.224 -0.47 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.733 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.36 155.46 16.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 16.9 m -100.34 14.97 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.19 0.519 . . . . 10.0 110.667 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . 0.492 ' HB3' ' NZ ' ' B' 1665 ' ' LYS . 26.2 t0 -157.21 43.3 0.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.757 0.789 . . . . 10.0 109.369 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.661 179.858 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.093 -0.403 . . . . 10.0 112.093 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -57.15 -39.27 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.817 0.341 . . . . 10.0 110.588 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -69.97 -33.15 71.7 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.243 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.82 -40.85 63.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.019 0.438 . . . . 10.0 110.047 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . 0.55 ' O ' HG13 ' B' 1654 ' ' ILE . . . -60.94 -45.37 94.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.639 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -37.89 87.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.496 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.92 -43.46 86.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.121 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.51 -36.31 83.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.204 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . 0.55 HG13 ' O ' ' B' 1650 ' ' ALA . 27.7 mt -63.84 -47.55 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.134 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.98 -42.51 97.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.949 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.22 -40.96 97.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.601 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' B' 1661 ' ' PHE . 36.8 t80 -61.87 -47.39 85.22 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -61.96 -42.87 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.769 0.795 . . . . 10.0 109.521 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -59.76 -57.21 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.548 -1.205 . . . . 10.0 111.232 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -68.12 -24.8 65.06 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' B' 1657 ' ' TYR . 24.2 t80 -64.05 -40.97 97.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.761 0.315 . . . . 10.0 110.318 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' B' 1666 ' ' GLU . 43.3 mttm -58.85 -48.61 80.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.428 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -63.92 -39.6 94.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.76 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -59.89 -41.89 92.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.219 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' A' ' 891' ' ' ASP . 25.8 tptt -68.29 -34.66 76.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' B' 1662 ' ' LYS . 56.9 mt-10 -68.43 -23.37 64.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.22 0.533 . . . . 10.0 110.508 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.83 -57.65 2.79 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.439 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.756 -1.024 . . . . 10.0 112.07 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.32 0.105 . . . . 10.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.67 10.07 32.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.284 0.564 . . . . 10.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -100.43 -160.24 0.79 Allowed 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.873 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.88 11.85 3.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.871 0.843 . . . . 10.0 109.04 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -89.34 -48.45 7.34 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.473 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.59 69.4 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 108.426 -0.953 . . . . 10.0 108.426 178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -68.14 -57.64 5.74 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.5 t -57.34 -38.41 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.98 -1.009 . . . . 10.0 110.861 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.9 mmm -61.72 -45.24 94.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.465 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.156 0.503 . . . . 10.0 110.187 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 20.1 m -62.56 -40.75 97.84 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.686 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -52.67 63.88 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.204 -1.035 . . . . 10.0 108.204 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -45.88 -48.67 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.234 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.12 -36.65 77.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.726 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.83 -39.29 73.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.976 0.417 . . . . 10.0 111.929 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.32 -8.89 59.36 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.746 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 840' ' ' LYS . . . 79.2 52.45 4.86 Favored Glycine 0 N--CA 1.462 0.418 0 C-N-CA 121.373 -0.442 . . . . 10.0 112.359 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.4 t70 67.85 -18.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.233 1.013 . . . . 10.0 112.617 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 838' ' ' GLY . 37.5 mtmt -64.62 138.77 58.59 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -76.3 -12.4 60.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.393 0.616 . . . . 10.0 109.999 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -117.68 134.53 54.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.848 179.126 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 19.3 tt -115.03 155.47 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.84 137.96 55.73 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.155 0.502 . . . . 10.0 111.247 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 34.8 ttp -56.87 -50.02 73.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.25 -0.886 . . . . 10.0 111.619 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -23.7 60.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.391 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -51.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.97 0.414 . . . . 10.0 110.332 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.2 pp -66.22 -26.16 67.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 29.5 ttp180 -74.53 -27.66 60.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.621 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -30.15 33.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -82.14 -70.09 0.57 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.052 -0.976 . . . . 10.0 110.23 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.98 148.74 92.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -55.07 139.62 80.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.701 2.268 . . . . 10.0 111.272 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -38.7 -50.42 2.46 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.813 3.009 . . . . 10.0 114.08 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.04 -45.47 86.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.167 0.508 . . . . 10.0 111.609 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.4 -46.0 61.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.186 -0.915 . . . . 10.0 110.302 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.53 -53.14 61.05 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.663 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -56.14 -39.96 73.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.19 0.519 . . . . 10.0 110.272 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -65.36 -44.09 88.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.416 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 864' ' ' MET . 71.7 m -65.81 -37.48 86.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.634 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 857' ' ' ALA . 93.9 mt -60.81 -40.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -74.96 -27.1 60.04 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.899 0.38 . . . . 10.0 110.971 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -92.66 16.44 12.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.095 -178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 49.3 mtt -103.73 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.818 -0.551 . . . . 10.0 110.373 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -125.63 153.11 72.85 Favored Pre-proline 0 N--CA 1.439 -0.981 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 868' ' ' THR . 19.5 Cg_endo -60.69 90.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.848 2.365 . . . . 10.0 113.258 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.95 ' HE2' ' HG ' ' A' ' 872' ' ' SER . 0.0 OUTLIER 24.61 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 126.068 1.747 . . . . 10.0 114.933 179.002 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 866' ' ' PRO . 83.2 m 65.6 97.54 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.814 0.816 . . . . 10.0 111.818 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -170.81 -169.44 33.86 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.523 -0.846 . . . . 10.0 111.923 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -85.23 7.52 5.1 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.789 2.326 . . . . 10.0 111.502 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -148.82 114.33 5.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.354 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . 0.95 ' HG ' ' HE2' ' A' ' 867' ' ' TYR . 35.7 t -73.92 93.81 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.534 . . . . 10.0 109.768 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 842' ' ' TYR . 17.6 m -80.21 130.69 64.94 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.629 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -87.99 132.55 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.985 2.457 . . . . 10.0 112.682 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 74.55 11.96 82.6 Favored Glycine 0 CA--C 1.51 -0.235 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.983 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -130.19 138.26 50.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.8 158.82 38.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.883 0.373 . . . . 10.0 111.629 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 22.2 t70 -67.08 116.18 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.338 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -85.85 -21.37 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.83 -0.348 . . . . 10.0 111.739 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 34.0 ttp -57.69 -31.52 66.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.331 0.586 . . . . 10.0 111.19 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 66.9 m -64.68 -33.62 76.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -67.75 -46.87 70.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.943 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -32.11 73.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.209 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.9 m -71.1 -46.17 62.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.339 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.78 76.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.209 0.528 . . . . 10.0 110.223 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.12 -34.23 59.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.874 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -63.33 -39.08 93.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.623 0.249 . . . . 10.0 110.649 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -77.17 87.32 0.99 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.858 -0.687 . . . . 10.0 111.954 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 163.83 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.7 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.3 m -92.01 -7.23 49.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.538 . . . . 10.0 109.549 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.31 123.39 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.006 -0.997 . . . . 10.0 108.915 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.414 -0.803 . . . . 10.0 109.2 -179.012 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.373 -0.691 . . . . 10.0 111.373 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -62.17 -62.71 1.58 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.027 0.413 . . . . 10.0 111.359 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -63.74 -27.51 69.25 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.472 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . 0.603 ' O ' ' HG ' ' B' 1653 ' ' LEU . 64.6 t80 -58.92 -42.09 88.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . . . . . . . . . . . -72.52 -38.28 68.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.543 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . 0.403 ' O ' ' HG3' ' B' 1655 ' ' GLN . 39.6 m -59.47 -47.61 84.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.308 -0.86 . . . . 10.0 110.707 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.89 -37.01 83.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.376 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' 1649 ' ' TYR . 39.4 mt -58.12 -42.05 84.94 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.513 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.04 -41.0 67.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . 0.569 ' O ' ' HD3' ' B' 1659 ' ' ARG . 52.0 mt-30 -64.36 -43.28 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.29 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.862 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' B' 1661 ' ' PHE . 41.1 t80 -66.21 -33.19 75.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.27 -41.28 94.37 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.399 0.618 . . . . 10.0 109.61 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . 0.569 ' HD3' ' O ' ' B' 1655 ' ' GLN . 0.9 OUTLIER -67.52 -41.4 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.092 -0.958 . . . . 10.0 110.934 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' B' 1657 ' ' TYR . 0.0 OUTLIER -76.22 -26.28 55.92 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.617 -0.433 . . . . 10.0 110.961 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' B' 1657 ' ' TYR . 19.1 t80 -63.22 -40.87 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.173 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 38.7 mttm -63.81 -46.54 84.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.98 -42.92 91.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.841 . . . . 10.0 110.17 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -55.33 -46.06 76.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.064 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 21.0 tptt -64.37 -27.6 69.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.033 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.49 -6.85 59.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.667 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -106.09 -75.26 0.63 Allowed 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 120.981 0.42 . . . . 10.0 111.146 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.029 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.788 -0.078 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.42 -15.51 24.23 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.509 0.671 . . . . 10.0 110.245 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.02 -161.53 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.016 -0.993 . . . . 10.0 110.297 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.73 9.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 10.0 109.692 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.48 -53.15 12.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.859 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.13 -36.43 72.94 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.811 178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.32 -42.37 75.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 10.0 110.306 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' B' 1654 ' ' ILE . 3.0 t -62.85 -42.84 97.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.314 178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 42.6 mmm -58.9 -48.56 81.01 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.403 0.44 . . . . 10.0 111.172 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.91 89.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . 0.753 ' HB3' ' HB1' ' B' 1650 ' ' ALA . 75.2 m -61.87 -41.45 97.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.809 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -55.71 26.69 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.889 -0.782 . . . . 10.0 108.889 177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -45.16 -45.28 11.37 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.363 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.53 -44.79 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.788 0.327 . . . . 10.0 110.394 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -40.94 86.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.599 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.81 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.287 -0.869 . . . . 10.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 90.89 58.0 1.54 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.926 -0.654 . . . . 10.0 112.101 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.08 30.0 18.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.294 0.569 . . . . 10.0 111.883 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 63.8 mttt -118.19 145.0 45.28 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.256 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -81.05 -9.97 59.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 10.0 110.155 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.81 135.64 52.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.123 -0.944 . . . . 10.0 110.193 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 18.9 tt -115.89 154.33 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.668 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . 0.415 ' HB ' ' HB2' ' A' ' 847' ' ' GLU . 0.1 OUTLIER -70.12 137.93 51.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.271 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.9 ptp -60.12 -40.13 88.65 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.423 0.452 . . . . 10.0 111.638 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.49 -35.3 63.22 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 844' ' ' THR . 0.5 OUTLIER -59.92 -52.07 66.97 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.506 -0.316 . . . . 10.0 111.317 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.58 70.12 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.802 0.334 . . . . 10.0 110.302 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . 0.478 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 37.8 ttp180 -71.97 -25.15 61.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.507 -0.77 . . . . 10.0 109.796 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -21.88 30.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.608 178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.68 -68.29 0.75 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.585 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 31.7 mt -79.32 148.14 70.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -54.66 143.53 68.74 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.612 2.208 . . . . 10.0 111.399 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -38.56 -46.77 2.53 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 124.377 3.385 . . . . 10.0 113.906 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.28 -48.54 80.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.97 0.414 . . . . 10.0 111.85 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -72.49 -40.33 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.371 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -57.39 -51.91 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.459 0.475 . . . . 10.0 111.223 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.49 -40.51 78.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.646 0.26 . . . . 10.0 110.858 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -65.31 -44.08 88.99 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.36 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 864' ' ' MET . 79.7 m -63.12 -44.17 96.35 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.551 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 73.7 mt -58.41 -45.92 89.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -70.85 -23.87 62.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.258 -0.428 . . . . 10.0 112.046 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -93.24 -6.2 48.16 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 59.6 mtt -84.91 165.38 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -118.65 151.74 50.33 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.58 103.14 0.09 OUTLIER 'Trans proline' 0 C--O 1.22 -0.415 0 C-N-CA 122.951 2.434 . . . . 10.0 113.125 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 867' ' ' TYR . 0.0 OUTLIER 13.98 -70.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.614 1.966 . . . . 10.0 115.929 178.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 25.7 m 67.79 94.45 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.79 0.723 . . . . 10.0 111.252 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.68 178.64 48.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.111 -1.042 . . . . 10.0 113.546 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.43 5.4 3.73 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.415 2.744 . . . . 10.0 113.114 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -146.77 108.02 4.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.972 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . 0.414 ' OG ' ' HE2' ' A' ' 867' ' ' TYR . 36.7 t -71.11 101.5 2.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.072 -0.967 . . . . 10.0 110.132 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -87.56 124.84 67.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.936 -1.029 . . . . 10.0 111.286 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.19 131.03 4.12 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.943 2.429 . . . . 10.0 112.367 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 78.94 3.93 88.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.889 -0.596 . . . . 10.0 113.112 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -121.72 145.42 48.05 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 1.0 OUTLIER -131.66 155.13 48.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.751 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 29.3 t70 -63.41 111.59 2.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.766 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.23 -28.43 53.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.715 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 51.0 ttp -56.28 -31.96 64.11 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.333 0.587 . . . . 10.0 110.581 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 43.2 m -64.27 -31.24 72.36 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.444 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -69.82 -51.06 36.84 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.841 0.353 . . . . 10.0 110.56 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.2 m -64.17 -37.52 87.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 99.4 m -66.2 -41.69 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.41 0.624 . . . . 10.0 109.935 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.25 65.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.139 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 tp -81.23 -26.62 35.73 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.577 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -64.09 -35.64 81.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.67 -0.695 . . . . 10.0 111.335 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -82.41 95.93 1.81 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.957 -0.639 . . . . 10.0 112.573 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -85.75 161.88 18.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.647 0.26 . . . . 10.0 110.468 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 48.0 m -76.48 -41.99 45.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.959 0.409 . . . . 10.0 110.677 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -127.98 91.28 3.24 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.278 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.251 1.16 0 CA-C-N 115.21 -0.904 . . . . 10.0 110.176 179.323 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 CA-C-O 120.37 -0.128 . . . . 10.0 112.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -73.27 -65.23 0.84 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -55.34 -34.97 64.69 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.729 1.011 . . . . 10.0 113.729 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.757 0.313 . . . . 10.0 111.774 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . 0.753 ' HB1' ' HB3' ' A' ' 832' ' ' SER . . . -69.4 -42.16 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 10.0 112.211 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 1.4 p -71.78 -29.99 65.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 51.0 t80 -65.66 -37.51 86.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.977 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.32 -32.9 69.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.859 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . 0.605 HG13 ' O ' ' B' 1650 ' ' ALA . 57.1 mt -66.21 -45.07 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.27 0.557 . . . . 10.0 109.851 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -67.35 -33.91 76.22 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.627 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.85 -33.5 73.92 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . . . . . . . . . 30.1 t80 -66.71 -40.59 88.51 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.424 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -65.5 -38.41 89.66 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.951 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -68.88 -43.94 74.3 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.615 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' 1664 ' ' ARG . 0.1 OUTLIER -78.49 -12.71 60.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.797 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 87.4 t80 -80.02 -44.54 19.98 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.824 -0.436 . . . . 10.0 109.824 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.11 -44.84 83.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.609 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . . . . . . . . . 61.3 mttp -67.37 -29.42 68.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.482 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' B' 1660 ' ' LYS . 7.6 tmm_? -72.08 -26.33 62.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.251 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.03 -28.1 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.611 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.68 -22.58 58.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.221 0.534 . . . . 10.0 110.23 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -88.92 -48.88 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.722 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.79 0 CA-C-O 119.046 -0.864 . . . . 10.0 111.183 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.739 0.304 . . . . 10.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -7.78 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.496 0.665 . . . . 10.0 109.925 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.96 -167.26 1.67 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.022 -0.99 . . . . 10.0 111.427 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 829' ' ' VAL . 0.9 OUTLIER -136.6 9.14 3.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.161 0.982 . . . . 10.0 109.546 179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' B' 1657 ' ' TYR . . . -82.99 -46.61 12.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.596 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.0 -41.24 74.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.761 0.791 . . . . 10.0 109.151 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -64.27 -44.63 91.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.375 -1.284 . . . . 10.0 110.926 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 825' ' ' THR . 17.0 t -61.81 -40.47 87.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 38.0 mmm -62.05 -46.17 90.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.466 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.72 94.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.046 0.451 . . . . 10.0 109.873 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.9 m -64.81 -40.85 95.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.714 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -62.42 -51.74 66.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.522 -0.918 . . . . 10.0 108.522 177.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.36 -49.73 33.34 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.154 -0.93 . . . . 10.0 110.151 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.43 -45.17 96.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 O-C-N 123.253 0.345 . . . . 10.0 110.742 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.635 HD21 ' HG3' ' A' ' 851' ' ' GLU . 7.7 tp -50.58 -48.32 57.7 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.632 -0.713 . . . . 10.0 112.115 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -80.08 -35.49 36.9 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.521 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 840' ' ' LYS . . . 109.87 62.47 0.52 Allowed Glycine 0 C--O 1.236 0.231 0 C-N-CA 120.844 -0.693 . . . . 10.0 111.921 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.2 t70 53.7 39.89 30.79 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.494 0.664 . . . . 10.0 110.211 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 838' ' ' GLY . 68.8 mttt -115.23 134.86 54.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.213 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . 0.454 ' O ' ' HD2' ' A' ' 879' ' ' TYR . 10.1 t30 -78.88 -22.12 46.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.824 0.821 . . . . 10.0 109.358 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.444 ' CD1' HG21 ' A' ' 873' ' ' VAL . 0.1 OUTLIER -115.43 121.82 43.91 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.444 -1.253 . . . . 10.0 109.855 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 20.2 tt -103.45 150.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.996 0.427 . . . . 10.0 110.964 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.88 138.13 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.116 -0.493 . . . . 10.0 109.753 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . 0.581 ' HG3' ' N ' ' A' ' 846' ' ' ASP . 7.4 ptp -62.02 -45.11 95.04 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.88 0.738 . . . . 10.0 111.772 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . 0.581 ' N ' ' HG3' ' A' ' 845' ' ' MET . 0.9 OUTLIER -69.27 -33.99 74.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 -179.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -62.63 -50.17 72.28 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.609 0.242 . . . . 10.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -28.29 68.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.215 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . 0.546 ' HA ' ' CB ' ' A' ' 857' ' ' ALA . 26.3 ttp180 -74.81 -25.74 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.118 0.485 . . . . 10.0 110.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -28.61 50.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.523 0.678 . . . . 10.0 109.657 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.635 ' HG3' HD21 ' A' ' 836' ' ' LEU . 63.0 mm-40 -82.48 -68.59 0.69 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.574 -1.194 . . . . 10.0 111.303 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.455 HD21 HD12 ' B' 1654 ' ' ILE . 14.6 mt -78.07 153.92 80.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.353 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.57 153.2 43.41 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.909 1.739 . . . . 10.0 110.818 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.87 -57.33 2.24 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.766 2.311 . . . . 10.0 113.547 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.56 -40.02 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.35 -53.96 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.546 ' CB ' ' HA ' ' A' ' 849' ' ' ARG . . . -56.52 -44.32 80.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.076 -0.511 . . . . 10.0 112.027 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -61.74 -38.56 88.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.09 0.471 . . . . 10.0 110.357 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.76 -44.02 78.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.575 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 864' ' ' MET . 72.7 m -62.59 -39.93 95.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.423 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.05 -37.8 74.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.533 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -79.42 -17.86 53.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.997 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -102.32 21.5 14.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.139 0.495 . . . . 10.0 111.658 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 860' ' ' CYS . 55.1 mtt -108.84 -175.53 2.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 10.0 110.195 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 877' ' ' LEU . . . -125.41 149.66 65.2 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -57.24 97.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.937 2.425 . . . . 10.0 112.569 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 878' ' ' ASP . 0.1 OUTLIER 23.54 -77.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.864 1.666 . . . . 10.0 115.479 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 40.5 m 66.76 101.76 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.725 0.641 . . . . 10.0 111.733 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 178.73 175.67 45.97 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.56 -0.746 . . . . 10.0 111.543 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.15 5.46 2.65 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.23 2.62 . . . . 10.0 112.395 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -145.17 108.42 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.641 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 t -69.32 91.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.32 0.581 . . . . 10.0 110.955 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' A' ' 842' ' ' TYR . 10.8 m -79.21 123.36 84.75 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.195 -0.911 . . . . 10.0 111.593 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.71 131.0 6.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.351 2.034 . . . . 10.0 112.104 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.9 86.03 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.274 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -128.11 143.6 51.07 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.374 -0.486 . . . . 10.0 110.064 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 865' ' ' ALA . 0.8 OUTLIER -129.36 155.62 45.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.315 -178.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 867' ' ' TYR . 7.8 t0 -60.78 118.1 6.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.213 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 833' ' ' PHE . 1.2 p90 -86.71 -27.32 23.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.669 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.17 -35.66 73.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.132 0.491 . . . . 10.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.3 m -63.93 -36.98 85.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.426 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.11 -44.73 94.82 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.0 m -63.89 -33.11 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.134 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 28.4 m -70.03 -50.42 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.824 -0.626 . . . . 10.0 110.771 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.37 73.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.231 0.539 . . . . 10.0 110.512 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 27.9 tp -75.21 -25.6 58.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.381 -0.827 . . . . 10.0 111.064 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.23 -37.54 61.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.521 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -71.69 118.31 7.02 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.337 -0.935 . . . . 10.0 111.888 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.73 152.01 21.72 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 8.0 m -83.89 -26.87 29.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 10.0 109.958 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -139.89 87.85 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.429 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 64.5 tp . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.449 -179.64 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1646 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.191 -0.364 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1647 ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -82.31 -55.75 4.32 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 110.693 -0.114 . . . . 10.0 110.693 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1648 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -63.7 -34.04 76.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 O-C-N 123.381 0.426 . . . . 10.0 110.195 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1649 ' ' TYR . . . . . 0.421 ' O ' ' HG ' ' B' 1653 ' ' LEU . 12.1 t80 -59.97 -42.61 94.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.31 0.576 . . . . 10.0 109.686 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1650 ' ' ALA . . . . . 0.501 ' O ' HG13 ' B' 1654 ' ' ILE . . . -65.0 -44.36 89.5 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.128 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1651 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -42.68 90.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.814 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1652 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -64.16 -34.93 79.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.506 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1653 ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' 1649 ' ' TYR . 95.3 mt -65.17 -42.01 94.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1654 ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' 1650 ' ' ALA . 33.5 mt -64.93 -43.43 96.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1655 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.67 -48.16 82.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.527 -0.761 . . . . 10.0 111.711 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1656 ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.75 -35.48 80.21 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1657 ' ' TYR . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 826' ' ' ALA . 63.9 t80 -64.06 -46.76 82.93 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.804 0.335 . . . . 10.0 110.309 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1658 ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.84 -39.94 95.9 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1659 ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' 1663 ' ' LYS . 12.1 ttp180 -63.78 -55.03 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.458 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1660 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -27.69 69.16 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.533 0.206 . . . . 10.0 111.087 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1661 ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.17 -41.88 96.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.25 0.548 . . . . 10.0 110.06 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1662 ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' 1666 ' ' GLU . 42.1 mttm -62.66 -41.92 99.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.617 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1663 ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' 1659 ' ' ARG . 20.9 mtpp -65.32 -38.78 91.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.446 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1664 ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.95 -43.28 91.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.612 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1665 ' ' LYS . . . . . . . . . . . . . 45.2 tptt -64.78 -28.7 69.75 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1666 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' 1662 ' ' LYS . 41.1 mt-10 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.506 0.67 . . . . 10.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1667 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -87.02 -60.07 2.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.121 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1668 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.916 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.399 179.794 . . . . . . . . 0 0 . 1 stop_ save_